data_2kot_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 2kot _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 112.23 0.456 . . . . 3.15 112.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.53 124.42 19.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.853 0.461 . . . . 1.19 110.408 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.73 116.67 23.37 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.458 -0.337 . . . . 1.01 111.716 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -111.79 141.83 25.5 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.87 0.468 . . . . 1.02 110.825 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.89 136.84 33.66 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 122.802 2.335 . . . . 0.95 113.043 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.0 mt -130.11 -76.2 0.54 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.583 0.353 . . . . 1.29 111.591 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -113.55 166.29 11.66 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.287 0.635 . . . . 1.34 109.839 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.09 -42.01 72.33 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.742 0.645 . . . . 1.42 112.742 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.4 -36.13 60.91 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 111.653 0.242 . . . . 0.77 111.653 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -76.92 -27.35 54.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.671 0.389 . . . . 1.03 110.963 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.15 -34.03 68.2 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.027 0.531 . . . . 0.81 111.026 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -59.7 -52.62 64.73 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.907 0.321 . . . . 1.04 110.942 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.85 -24.06 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 111.647 0.239 . . . . 1.07 111.647 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.55 -35.08 46.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.012 0.525 . . . . 1.0 110.794 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -63.47 -38.84 92.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.688 0.395 . . . . 1.16 111.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.13 -32.3 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.33 0.252 . . . . 0.64 110.969 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -78.81 -52.9 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.447 0.299 . . . . 0.95 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.8 p -65.07 -25.44 67.81 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.657 1.354 . . . . 0.93 114.657 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -80.4 -42.56 22.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.441 0.904 . . . . 0.76 113.441 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -100.58 -23.02 14.77 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.237 1.199 . . . . 1.1 114.237 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.57 -13.25 61.9 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.185 0.902 . . . . 3.79 113.068 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 m -67.3 -30.0 69.74 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 110.068 -0.345 . . . . 1.74 110.068 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.78 -27.68 13.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.321 0.648 . . . . 1.82 111.158 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.26 66.96 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.144 0.424 . . . . 1.0 112.144 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -65.61 -19.93 66.11 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.147 0.425 . . . . 1.8 112.147 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.01 -44.08 66.99 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.215 0.606 . . . . 2.01 111.87 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.66 -178.66 5.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.44 0.296 . . . . 1.59 110.31 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.33 147.93 12.46 Favored Glycine 0 C--N 1.357 1.71 0 N-CA-C 114.36 0.504 . . . . 1.2 114.36 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 64.94 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.06 0.944 . . . . 3.16 111.809 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -84.92 -40.05 17.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.392 -0.367 . . . . 1.46 111.206 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.51 -15.62 56.27 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 112.638 0.607 . . . . 1.43 112.638 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -90.35 144.4 25.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.482 0.549 . . . . 1.33 112.482 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.22 144.97 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.548 -0.751 . . . . 0.88 109.36 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.9 t -70.01 152.89 43.89 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.071 0.397 . . . . 0.99 112.071 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.33 -24.5 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 N-CA-C 112.597 0.592 . . . . 0.73 112.597 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -96.29 -26.52 15.36 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.152 0.427 . . . . 0.92 112.152 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.83 -33.16 27.22 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.089 0.774 . . . . 1.54 113.089 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -66.18 -33.49 75.89 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.165 0.439 . . . . 0.79 110.843 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -67.31 -35.8 80.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.871 0.468 . . . . 0.97 110.416 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.95 -34.04 64.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.74 0.416 . . . . 0.73 110.624 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.85 -40.65 83.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.902 0.481 . . . . 0.84 111.149 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.95 -19.34 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.648 0.379 . . . . 0.61 111.563 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -107.96 13.27 26.31 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 112.055 0.391 . . . . 0.8 112.055 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -138.22 -56.68 0.65 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.064 0.393 . . . . 1.41 111.858 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -98.69 -17.69 18.43 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.809 0.67 . . . . 0.97 112.809 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.45 47.99 3.19 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-N 118.015 0.37 . . . . 0.85 111.327 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -84.41 -34.84 0.22 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 122.567 2.178 . . . . 0.52 115.229 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -70.12 -35.32 74.02 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.882 0.697 . . . . 0.98 112.882 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.05 -69.36 0.3 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.571 0.348 . . . . 1.12 111.534 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.99 100.52 11.11 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.734 -0.469 . . . . 0.94 109.734 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -38.38 56.56 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.701 1.0 . . . . 1.91 113.701 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.23 73.59 10.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.811 0.339 . . . . 2.08 110.55 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.15 -33.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 116.441 -0.345 . . . . 0.75 111.155 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.95 -40.89 6.48 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 119.83 -0.428 . . . . 0.83 112.614 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -88.59 71.05 8.9 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 121.306 0.574 . . . . 1.26 109.769 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 2.49 30.89 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.401 -0.818 . . . . 1.59 110.98 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.48 -30.38 71.51 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.383 0.512 . . . . 0.77 112.383 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.12 -45.06 95.14 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.546 0.338 . . . . 1.09 110.868 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -84.59 -33.35 23.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.357 0.263 . . . . 1.92 111.217 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.3 ttp -54.75 -36.99 65.39 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.769 0.427 . . . . 1.09 111.987 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.46 -40.56 35.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.094 0.246 . . . . 3.13 110.998 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -66.53 -31.86 72.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.791 0.436 . . . . 1.0 111.794 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.6 -59.98 3.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.091 0.556 . . . . 0.96 111.351 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.09 80.44 9.18 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.209 0.528 . . . . 1.39 109.9 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.94 -28.68 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 115.658 -0.701 . . . . 0.82 111.933 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -86.82 -27.07 23.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.605 0.362 . . . . 1.74 111.522 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 58.77 84.06 0.11 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 123.694 0.798 . . . . 2.45 111.649 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -117.09 -70.63 0.78 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.02 -0.536 . . . . 1.41 109.779 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 m -164.43 -55.6 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.204 0.602 . . . . 1.61 110.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.37 175.31 5.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.205 0.602 . . . . 2.42 110.772 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.0 99.67 10.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.961 0.504 . . . . 1.23 111.523 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.44 162.7 19.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.487 -0.931 . . . . 2.35 108.487 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.62 -29.14 69.05 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.515 1.052 . . . . 1.43 112.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.94 -28.26 64.36 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 110.115 -0.328 . . . . 1.24 110.115 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.25 -43.31 11.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.357 0.663 . . . . 1.03 110.549 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -68.36 -17.53 64.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.707 0.803 . . . . 0.79 112.187 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -53.74 -25.05 16.95 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.259 1.023 . . . . 1.98 113.319 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -66.6 -25.07 66.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.22 0.464 . . . . 2.48 111.698 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -93.55 -25.89 17.37 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 122.826 0.451 . . . . 0.59 110.295 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.48 -37.71 80.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 122.79 0.436 . . . . 0.91 109.954 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.5 -41.64 57.44 Favored Glycine 0 C--N 1.357 1.717 0 N-CA-C 111.563 -0.615 . . . . 0.49 111.563 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.94 -22.73 65.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.62 0.368 . . . . 0.86 110.676 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -49.21 77.33 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.005 0.522 . . . . 0.95 110.664 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.76 42.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.645 0.609 . . . . 1.12 112.645 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -87.42 -37.38 17.08 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 117.977 0.353 . . . . 1.46 111.226 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -87.18 -7.75 57.62 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.196 0.443 . . . . 1.65 112.196 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.61 -38.72 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 118.094 0.406 . . . . 0.93 111.297 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.33 -30.13 9.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.791 0.663 . . . . 2.16 112.791 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -134.04 65.72 1.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.716 0.636 . . . . 1.87 112.716 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.36 59.2 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.818 -0.438 . . . . 2.47 109.818 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -137.34 70.51 1.4 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.599 0.76 . . . . 1.83 108.957 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.2 72.1 3.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.508 0.67 . . . . 1.81 111.181 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tp -171.04 -48.4 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.218 -0.901 . . . . 1.45 110.416 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -89.93 -54.17 4.16 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.855 0.462 . . . . 2.03 110.604 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.2 pt -113.92 125.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.034 0.534 . . . . 1.24 109.803 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -142.74 40.38 1.54 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.401 0.519 . . . . 2.8 112.401 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -152.74 69.27 0.85 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.959 0.409 . . . . 2.08 111.967 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 tttp . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 122.829 0.452 . . . . 1.94 109.973 179.2 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.165 0.431 . . . . 2.04 112.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.03 161.48 13.7 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.433 0.293 . . . . 0.9 111.501 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.436 ' HB3' ' HG2' ' B' ' 14' ' ' GLU . . . -93.86 125.01 38.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.612 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -120.45 141.5 32.14 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.589 . . . . 1.1 110.038 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.2 141.32 49.22 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 123.038 2.492 . . . . 1.08 114.29 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -136.26 -128.46 0.15 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 119.011 -0.518 . . . . 1.32 110.324 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -80.12 161.97 25.01 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.163 0.892 . . . . 1.51 110.871 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -41.43 -48.69 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.124 1.157 . . . . 1.51 114.124 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.6 -41.21 63.15 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 111.778 0.288 . . . . 0.84 111.778 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.82 -37.34 79.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.954 0.502 . . . . 0.95 111.427 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.38 -32.79 74.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.412 0.685 . . . . 0.85 112.406 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -63.04 -55.23 27.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.946 0.339 . . . . 1.04 110.669 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.59 -18.07 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 111.88 0.326 . . . . 1.1 111.88 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' B' ' 3' ' ' ALA . 7.4 tm-20 -78.53 -40.47 34.99 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.364 0.666 . . . . 1.0 110.74 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -63.59 -34.7 78.39 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.014 0.376 . . . . 1.34 112.014 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.08 -32.12 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.284 0.234 . . . . 0.78 110.979 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.46 -53.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 122.896 0.478 . . . . 0.97 110.759 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -63.29 -28.08 69.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.501 1.297 . . . . 0.88 114.501 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -71.42 -49.37 42.49 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.911 0.708 . . . . 0.75 112.911 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -90.09 -19.64 24.1 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.422 0.897 . . . . 1.21 113.422 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.5 -21.17 66.6 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 118.93 0.786 . . . . 3.66 112.656 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -62.96 -31.12 72.16 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.713 0.405 . . . . 1.51 111.252 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.64 -27.39 13.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.914 0.486 . . . . 1.82 111.804 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.24 61.19 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.517 0.562 . . . . 0.91 112.517 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -59.59 -32.09 70.07 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.922 0.712 . . . . 2.05 112.922 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -58.88 -33.69 70.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.937 0.718 . . . . 1.91 112.937 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -89.98 176.58 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.343 0.257 . . . . 1.45 110.776 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.74 142.58 45.75 Favored Glycine 0 C--N 1.356 1.654 0 N-CA-C 113.958 0.343 . . . . 1.1 113.958 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.45 114.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.001 0.92 . . . . 3.19 112.01 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -62.48 -40.26 96.11 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.421 0.288 . . . . 1.24 111.562 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.15 -27.61 63.67 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 111.804 0.298 . . . . 1.36 111.804 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -83.19 147.22 28.16 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 112.228 0.455 . . . . 1.36 112.228 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.33 151.08 23.87 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.41 -0.814 . . . . 0.9 109.967 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.5 t -74.16 158.78 33.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.526 0.331 . . . . 1.1 111.535 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.46 -19.39 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 112.256 0.465 . . . . 0.81 112.256 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.45 -42.59 6.54 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.611 0.365 . . . . 0.95 111.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.32 -36.99 82.59 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.577 0.584 . . . . 1.61 112.577 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.6 -37.12 84.22 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 117.953 0.342 . . . . 0.78 110.249 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.297 0.639 . . . . 0.9 110.274 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 -28.92 63.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.821 0.448 . . . . 0.69 111.197 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.6 -36.58 84.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.824 0.45 . . . . 0.88 110.667 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 67.9 t -74.72 -30.09 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 122.621 0.368 . . . . 0.62 111.171 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.35 27.77 4.51 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.447 0.299 . . . . 0.83 111.769 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -154.65 -52.79 0.09 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 112.282 0.475 . . . . 1.3 112.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -112.83 -6.42 13.82 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.584 0.957 . . . . 0.84 113.584 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.9 OUTLIER -137.71 39.11 0.39 Allowed Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 118.449 0.568 . . . . 0.88 112.244 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.38 -33.81 2.32 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.232 1.954 . . . . 0.52 114.309 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -72.11 -30.1 64.73 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.319 0.489 . . . . 0.95 112.319 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.26 -53.49 16.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 117.524 0.147 . . . . 1.22 110.947 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.0 102.72 14.54 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.135 -0.691 . . . . 0.84 109.135 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -34.11 67.8 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.945 0.721 . . . . 1.78 112.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -93.1 83.17 4.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.745 0.418 . . . . 1.94 110.104 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -86.29 -30.99 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 116.179 -0.464 . . . . 0.7 111.97 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.42 -55.84 8.32 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.825 -0.431 . . . . 0.67 113.46 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 43.6 t -88.55 69.11 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.19 0.519 . . . . 1.26 111.035 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -76.53 -21.19 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.998 -0.546 . . . . 1.59 111.146 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.62 -25.7 53.87 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.655 0.983 . . . . 0.73 113.655 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.26 -38.14 79.36 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 117.754 0.252 . . . . 1.1 111.072 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -94.91 -37.16 11.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.745 0.418 . . . . 1.93 110.572 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 40.9 ttp -49.79 -43.25 48.23 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.527 0.731 . . . . 1.04 112.76 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -67.01 -35.02 79.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.181 0.192 . . . . 3.0 111.199 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -73.47 -25.95 60.7 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.616 0.367 . . . . 1.0 111.615 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 mt -74.65 -66.03 0.79 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 122.55 0.34 . . . . 0.97 110.833 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.5 76.43 4.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 109.779 -0.452 . . . . 1.32 109.779 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -81.69 -29.79 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 115.89 -0.595 . . . . 0.83 111.719 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -74.47 -26.96 60.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.805 0.298 . . . . 1.65 111.805 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 67.24 72.22 0.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.804 0.842 . . . . 2.44 111.097 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -140.05 15.09 2.45 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.438 -0.801 . . . . 1.3 111.745 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 57.53 26.1 12.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.331 0.652 . . . . 1.67 112.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -143.09 121.28 12.2 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.361 -0.607 . . . . 2.4 109.361 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -95.33 86.9 4.65 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.281 0.363 . . . . 1.43 110.901 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -66.14 171.41 4.68 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.842 -0.799 . . . . 2.2 108.842 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.61 -23.51 66.84 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.402 1.001 . . . . 1.47 111.677 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -73.69 -32.02 63.72 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.346 -0.613 . . . . 1.32 109.346 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.73 -47.27 13.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 123.254 0.621 . . . . 0.93 109.663 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -67.71 -16.84 64.34 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.639 0.775 . . . . 0.75 111.833 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -50.89 -34.58 28.89 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.35 1.06 . . . . 1.87 112.694 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -64.45 -32.32 73.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.382 -0.342 . . . . 2.72 111.846 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -81.43 -30.82 33.39 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 119.389 -0.339 . . . . 0.62 110.584 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.07 -38.96 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 109.317 -0.623 . . . . 1.18 109.317 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.71 80.77 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 111.759 -0.537 . . . . 0.44 111.759 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -72.56 -22.89 60.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.622 0.369 . . . . 0.91 111.692 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -52.75 39.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.755 0.422 . . . . 0.89 110.365 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.52 -18.57 58.65 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.295 0.48 . . . . 1.12 112.295 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -84.8 -35.6 22.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.967 0.507 . . . . 1.54 111.452 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -92.85 38.84 1.03 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 111.926 0.343 . . . . 1.68 111.926 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -44.37 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.629 0.371 . . . . 0.92 110.601 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 -36.02 9.41 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.71 0.404 . . . . 2.09 111.842 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -120.5 43.07 2.83 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 111.799 0.296 . . . . 1.96 111.799 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -62.87 -44.18 96.8 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 122.474 -0.141 . . . . 2.66 111.34 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -124.21 72.57 1.18 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.217 -0.66 . . . . 1.65 109.217 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.27 70.44 5.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.478 0.656 . . . . 1.72 110.712 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -167.55 -49.72 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.36 -0.837 . . . . 1.56 110.694 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -99.48 -49.04 4.56 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.092 0.557 . . . . 1.86 111.178 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -120.32 127.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.892 0.477 . . . . 1.25 111.285 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -134.76 35.2 3.13 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.084 0.402 . . . . 2.97 112.084 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -162.85 108.62 1.16 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.753 0.311 . . . . 2.3 111.565 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.293 -0.861 . . . . 2.1 110.079 179.408 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 N-CA-C 112.769 0.655 . . . . 3.15 112.769 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.28 150.06 50.22 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.923 0.489 . . . . 1.19 110.432 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.46 129.45 38.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.367 0.267 . . . . 1.01 111.529 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.49 135.97 14.29 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 122.957 0.503 . . . . 1.02 110.464 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.13 143.15 25.32 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.391 2.061 . . . . 0.95 113.688 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.61 -62.0 0.71 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.908 0.483 . . . . 1.29 110.924 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -111.64 164.87 12.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.677 0.791 . . . . 1.34 110.224 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.89 -43.5 94.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.416 0.525 . . . . 1.42 112.416 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -72.86 -29.98 63.62 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.623 0.231 . . . . 0.77 111.623 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.78 -40.99 65.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.603 -0.518 . . . . 1.03 109.603 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.33 -27.88 69.62 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.998 0.519 . . . . 0.81 111.741 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -61.79 -42.77 99.43 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.29 0.236 . . . . 1.04 111.367 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -93.61 -17.02 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.179 0.437 . . . . 1.07 112.179 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -81.23 -39.89 24.66 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.119 0.568 . . . . 1.0 111.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.7 m -61.55 -31.86 71.91 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.562 0.345 . . . . 1.16 111.462 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.49 -31.03 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 C-N-CA 122.506 0.322 . . . . 0.64 110.49 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.11 -65.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 123.145 0.578 . . . . 0.95 110.984 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -55.11 -34.01 63.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.93 114.805 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -72.97 -46.84 50.08 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.113 0.783 . . . . 0.76 113.113 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.91 -22.29 17.52 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.031 1.123 . . . . 1.1 114.031 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.8 -21.54 56.4 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.279 0.945 . . . . 3.79 112.629 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.4 m -64.49 -35.73 81.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 110.154 -0.313 . . . . 1.74 110.154 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -91.22 -32.64 15.7 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.989 0.516 . . . . 1.82 110.76 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.18 61.8 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.435 0.902 . . . . 1.0 113.435 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -86.15 10.3 14.89 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.158 0.799 . . . . 1.8 113.158 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -80.43 -36.8 33.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.707 0.403 . . . . 2.01 112.004 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.78 -175.02 3.16 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.759 0.424 . . . . 1.59 111.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.76 140.55 25.67 Favored Glycine 0 C--N 1.363 2.035 0 N-CA-C 114.37 0.508 . . . . 1.2 114.37 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? 64.76 120.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.259 1.024 . . . . 3.16 110.597 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -71.36 -27.79 63.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 111.911 0.337 . . . . 1.46 111.911 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -98.03 54.73 1.13 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.583 0.353 . . . . 1.43 110.701 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -157.17 152.76 26.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.202 0.445 . . . . 1.33 112.202 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.42 124.04 48.88 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.369 -0.604 . . . . 0.88 109.369 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.2 t -59.79 153.72 19.96 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.204 0.446 . . . . 0.99 112.204 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.91 -28.36 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 112.628 0.603 . . . . 0.73 112.628 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.79 -22.53 18.01 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.469 0.544 . . . . 0.92 112.469 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.97 -30.41 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.601 0.593 . . . . 1.54 112.601 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 -36.87 68.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.781 0.264 . . . . 0.79 111.121 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.53 -40.16 95.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.231 0.612 . . . . 0.97 111.389 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.33 -29.06 63.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.875 0.47 . . . . 0.73 111.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.91 -36.99 83.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.483 0.313 . . . . 0.84 110.708 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.94 -25.41 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 C-N-CA 122.77 0.428 . . . . 0.61 111.08 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -103.55 27.36 7.47 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 112.434 0.531 . . . . 0.8 112.434 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -153.12 -63.37 0.15 Allowed 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.704 -0.623 . . . . 1.41 112.118 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -99.03 -6.96 27.55 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.44 0.533 . . . . 0.97 112.44 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.6 47.47 1.14 Allowed Pre-proline 0 CA--C 1.564 1.487 0 CA-C-N 118.149 0.431 . . . . 0.85 111.801 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -86.87 -34.6 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.381 0 C-N-CA 122.404 2.069 . . . . 0.52 115.469 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.44 -19.93 60.22 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.703 0.631 . . . . 0.98 112.703 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -74.13 -56.5 4.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.648 0.379 . . . . 1.12 110.787 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.48 117.93 31.28 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.649 -0.5 . . . . 0.94 109.649 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -63.01 -29.56 70.92 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.378 0.51 . . . . 1.91 112.378 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -97.54 92.97 6.18 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 110.047 -0.353 . . . . 2.08 110.047 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.6 m -97.78 -36.94 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.06 0.392 . . . . 0.75 112.06 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.66 -51.75 6.98 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 119.886 -0.397 . . . . 0.83 112.98 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -87.96 75.84 8.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.038 0.446 . . . . 1.26 110.194 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 0.64 57.24 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.883 -0.599 . . . . 1.59 112.167 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.01 -27.59 67.55 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.096 0.776 . . . . 0.77 113.096 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.79 -43.11 89.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 111.562 0.208 . . . . 1.09 111.562 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.64 -33.02 20.25 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.574 -0.251 . . . . 1.92 110.973 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.7 ttp -58.53 -39.91 81.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.874 0.47 . . . . 1.09 112.181 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -67.59 -35.73 79.53 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 122.923 0.14 . . . . 3.13 111.077 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.4 m -67.79 -35.79 79.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.331 0.252 . . . . 1.0 110.922 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.94 -53.89 15.82 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.891 0.477 . . . . 0.96 111.189 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.51 77.83 7.28 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 121.215 0.531 . . . . 1.39 110.37 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 p -91.12 -35.89 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.44 -0.8 . . . . 0.82 111.605 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.46 -19.56 52.85 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 111.889 0.329 . . . . 1.74 111.889 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 66.41 56.97 0.74 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.682 0.793 . . . . 2.45 111.614 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.28 19.07 12.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.037 0.384 . . . . 1.41 112.037 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 t 70.34 -66.71 0.27 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.848 0.859 . . . . 1.61 111.844 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.77 133.75 44.66 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.922 0.328 . . . . 2.42 111.15 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -88.87 95.09 10.16 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.936 -0.575 . . . . 1.23 110.396 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -66.56 158.36 29.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 108.982 -0.747 . . . . 2.35 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -27.9 63.67 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.7 0.682 . . . . 1.43 112.602 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -69.65 -34.44 74.0 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.775 -0.454 . . . . 1.24 109.775 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.95 -36.11 25.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.08 0.552 . . . . 1.03 110.253 177.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -69.77 -13.19 62.16 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.571 0.748 . . . . 0.79 111.979 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -24.13 22.7 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.641 0.776 . . . . 1.98 112.879 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.9 mmm-85 -70.82 -26.76 63.44 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 118.448 0.567 . . . . 2.48 111.733 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -93.99 -32.53 13.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.99 0.516 . . . . 0.59 110.389 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.8 mm -57.0 -38.5 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 109.557 -0.535 . . . . 0.91 109.557 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.46 81.87 Favored Glycine 0 C--N 1.355 1.611 0 N-CA-C 111.463 -0.655 . . . . 0.49 111.463 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.39 -34.04 77.38 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 0.86 111.34 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.93 -43.32 93.15 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 110.08 -0.341 . . . . 0.95 110.08 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -31.08 59.91 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.072 -0.513 . . . . 1.12 112.367 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -36.58 24.03 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.089 0.774 . . . . 1.46 113.089 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.34 33.99 0.75 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.096 0.776 . . . . 1.65 113.096 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.58 -36.34 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 122.595 0.358 . . . . 0.93 111.142 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.47 -37.83 4.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.026 0.751 . . . . 2.16 113.026 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -119.37 47.31 1.72 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.598 0.592 . . . . 1.87 112.598 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -36.25 78.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.487 -0.324 . . . . 2.47 110.834 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.48 51.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.341 0.656 . . . . 1.83 109.645 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.59 -33.56 9.99 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.384 1.253 . . . . 1.81 114.384 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.0 tp -78.24 -40.46 37.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.609 0.225 . . . . 1.45 111.609 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -80.99 -66.17 0.92 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.625 0.37 . . . . 2.03 111.183 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 pt -121.73 130.84 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.652 0.381 . . . . 1.24 110.622 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -130.76 42.34 3.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.631 0.604 . . . . 2.8 112.631 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -156.21 100.56 2.01 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.486 0.314 . . . . 2.08 110.647 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.9 tttp . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 116.533 -0.303 . . . . 1.94 110.584 -179.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 112.685 0.624 . . . . 2.04 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 146.96 25.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.613 0.365 . . . . 0.9 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.59 35.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.946 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.62 138.3 31.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-O 119.259 -0.401 . . . . 1.1 111.385 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.31 114.3 2.62 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.666 2.244 . . . . 1.08 112.74 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.51 -153.22 0.52 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.996 0.518 . . . . 1.32 110.288 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -61.28 161.21 9.33 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.705 0.684 . . . . 1.51 111.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -37.84 -58.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.971 1.471 . . . . 1.51 114.971 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.22 -29.47 66.3 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.587 0.63 . . . . 0.84 112.26 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -79.24 -27.57 42.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.617 0.367 . . . . 0.95 110.954 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.98 -25.57 29.91 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.486 0.714 . . . . 0.85 111.426 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -61.49 -48.07 82.74 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.48 0.312 . . . . 1.04 110.999 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.47 -21.33 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 122.47 0.308 . . . . 1.1 111.338 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -72.45 -34.1 67.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.15 0.58 . . . . 1.0 111.429 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -56.32 -30.93 63.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.758 0.423 . . . . 1.34 111.89 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.86 -28.5 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.918 0.487 . . . . 0.78 110.847 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.92 35.43 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.414 0 C-N-CA 123.084 0.554 . . . . 0.97 110.781 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -147.14 -47.88 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 122.112 -0.368 . . . . 0.88 111.787 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -69.26 -47.56 64.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.559 0.344 . . . . 0.75 111.744 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -100.58 -10.93 20.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.461 0.911 . . . . 1.21 113.461 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -60.34 -30.88 69.82 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 119.002 0.819 . . . . 3.66 112.085 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -64.6 -37.74 88.6 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.762 0.425 . . . . 1.51 111.333 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -84.6 -31.0 24.53 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.747 0.419 . . . . 1.82 111.155 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -31.97 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.562 0.579 . . . . 0.91 112.562 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -77.88 -11.62 59.91 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.019 0.748 . . . . 2.05 113.019 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.27 -33.32 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.01 0.368 . . . . 1.91 111.734 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -97.2 -170.55 2.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.953 0.501 . . . . 1.45 110.068 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.73 144.52 41.03 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 114.1 0.4 . . . . 1.1 114.1 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 65.69 141.34 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.24 1.016 . . . . 3.19 112.064 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -75.36 -53.32 8.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.054 -0.521 . . . . 1.24 111.487 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -92.87 57.69 2.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.656 0.382 . . . . 1.36 110.444 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -150.78 120.43 6.99 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 116.404 -0.362 . . . . 1.36 111.647 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.1 mp -89.03 129.59 35.64 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.347 -0.612 . . . . 0.9 109.347 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -66.79 153.18 44.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 111.877 0.325 . . . . 1.1 111.877 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.32 -28.7 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 112.486 0.551 . . . . 0.81 112.486 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -92.35 -34.59 14.13 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 111.719 0.266 . . . . 0.95 111.719 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.62 -33.15 73.54 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.636 0.606 . . . . 1.61 112.636 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -31.67 61.77 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.878 0.308 . . . . 0.78 111.013 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -64.48 -39.49 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.371 0.269 . . . . 0.9 110.741 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.83 -30.89 67.44 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.977 0.511 . . . . 0.69 110.601 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 tp -67.1 -35.67 80.28 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.089 0.556 . . . . 0.88 111.399 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.59 -34.02 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.543 0.337 . . . . 0.62 111.292 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -98.83 39.55 1.26 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.036 0.384 . . . . 0.83 112.036 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -163.66 -55.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.074 0.398 . . . . 1.3 112.074 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.75 -15.42 14.96 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.845 0.683 . . . . 0.84 112.845 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -135.44 44.02 1.03 Allowed Pre-proline 0 CA--C 1.56 1.359 0 N-CA-C 112.177 0.436 . . . . 0.88 112.177 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.34 -32.1 1.03 Allowed 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.949 1.766 . . . . 0.52 114.858 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -74.46 -32.73 62.68 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.777 0.658 . . . . 0.95 112.777 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.59 -55.11 9.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.299 0.239 . . . . 1.22 111.4 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.13 109.24 20.13 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.803 -0.443 . . . . 0.84 109.803 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -55.4 -35.48 65.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.922 0.712 . . . . 1.78 112.922 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -96.23 92.76 6.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.366 0.266 . . . . 1.94 110.427 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.9 m -87.51 -43.05 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.526 -0.306 . . . . 0.7 111.248 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.82 -17.67 50.81 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 119.621 -0.544 . . . . 0.67 113.464 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.4 t -104.91 43.97 1.06 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 117.367 0.584 . . . . 1.26 111.101 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.94 68.36 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.331 0.586 . . . . 1.59 109.537 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -119.92 -41.52 2.66 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.61 -0.723 . . . . 0.73 110.874 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.75 -37.28 83.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.308 0.243 . . . . 1.1 110.625 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -82.49 -34.21 28.08 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.514 0.326 . . . . 1.93 110.847 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.0 ttp -63.03 -37.84 88.79 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 112.121 0.415 . . . . 1.04 112.121 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.34 -38.23 71.64 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.148 0.179 . . . . 3.0 110.652 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -72.32 -26.56 61.99 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.168 0.293 . . . . 1.0 110.566 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.7 -63.57 1.05 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.622 0.769 . . . . 0.97 111.353 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.88 77.38 5.35 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 121.092 0.472 . . . . 1.32 110.346 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.03 -31.39 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 CA-C-N 116.015 -0.539 . . . . 0.83 111.449 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -70.62 -28.04 64.53 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.822 0.304 . . . . 1.65 111.822 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 62.29 77.65 0.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.595 0.758 . . . . 2.44 111.655 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -129.06 -70.62 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 1.3 110.603 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -177.43 -50.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.137 0.575 . . . . 1.67 111.277 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -113.52 148.17 36.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.816 0.446 . . . . 2.4 110.503 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.33 103.54 8.34 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.695 -0.23 . . . . 1.43 111.355 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -66.74 164.98 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.007 -0.738 . . . . 2.2 109.007 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -27.64 68.57 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.065 0.848 . . . . 1.47 111.684 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.03 -37.53 69.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 109.742 -0.466 . . . . 1.32 109.742 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.57 -33.39 41.78 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.76 0.424 . . . . 0.93 111.118 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -77.95 -9.78 59.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.736 0.414 . . . . 0.75 111.988 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -24.53 45.22 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.578 0.751 . . . . 1.87 111.935 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 63.6 mmt-85 -64.9 -42.1 95.04 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.918 0.487 . . . . 2.72 112.074 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.25 -30.74 60.58 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 119.516 -0.278 . . . . 0.62 111.457 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.7 mm -58.83 -38.34 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 109.671 -0.492 . . . . 1.18 109.671 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.49 -34.41 44.91 Favored Glycine 0 C--N 1.36 1.867 0 O-C-N 123.384 0.428 . . . . 0.44 112.032 177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.43 -31.55 67.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.989 0.516 . . . . 0.91 110.451 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.09 -48.9 79.8 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 123.386 0.674 . . . . 0.89 110.717 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.39 54.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.046 0.387 . . . . 1.12 112.046 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.67 -35.31 65.21 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.468 0.307 . . . . 1.54 111.58 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -100.09 37.34 1.66 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.838 0.455 . . . . 1.68 112.131 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 -39.81 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 122.841 0.457 . . . . 0.92 110.084 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -36.21 4.65 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.177 0.436 . . . . 2.09 112.177 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -120.16 58.28 0.92 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 112.187 0.44 . . . . 1.96 112.187 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -34.23 38.8 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.326 -0.62 . . . . 2.66 109.326 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -138.05 63.14 1.55 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 108.661 -0.866 . . . . 1.65 108.661 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.17 -32.68 70.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.414 0.894 . . . . 1.72 113.414 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 tp -74.22 -36.9 63.98 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.137 0.421 . . . . 1.56 112.137 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -84.37 -41.96 16.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.757 0.423 . . . . 1.86 112.047 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.6 pt -135.63 157.2 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.798 0.439 . . . . 1.25 111.39 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.51 42.48 0.99 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 112.858 0.688 . . . . 2.97 112.858 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -177.04 115.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 111.734 0.272 . . . . 2.3 111.734 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 36.1 tttp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.08 -0.962 . . . . 2.1 110.701 179.118 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.925 0.713 . . . . 3.15 112.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.88 158.05 15.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.735 0.414 . . . . 1.19 110.325 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.03 122.4 44.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.821 0.304 . . . . 1.01 111.821 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.91 139.2 27.84 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.359 0.664 . . . . 1.02 110.408 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -85.49 140.24 7.21 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.562 2.175 . . . . 0.95 113.149 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 mt -133.57 -58.03 0.88 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.891 0.476 . . . . 1.29 111.201 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -107.23 157.99 17.47 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.328 0.651 . . . . 1.34 110.06 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.67 -44.97 81.92 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.866 0.466 . . . . 1.42 112.188 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.31 -31.52 67.53 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 119.719 -0.182 . . . . 0.77 111.48 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.37 -32.98 64.81 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.199 -0.297 . . . . 1.03 110.199 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.06 -26.7 64.13 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.6 0.36 . . . . 0.81 110.823 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -62.04 -42.55 99.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.5 0.32 . . . . 1.04 111.135 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -89.3 -13.58 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.098 0.407 . . . . 1.07 112.098 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.85 -43.23 16.86 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.723 0.409 . . . . 1.0 110.781 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -59.67 -34.22 72.56 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.017 0.527 . . . . 1.16 112.181 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.03 -26.17 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 C-N-CA 122.643 0.377 . . . . 0.64 111.156 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -82.54 -72.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 122.678 0.391 . . . . 0.95 111.904 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.2 p -50.58 -36.42 34.65 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.654 1.353 . . . . 0.93 114.654 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.6 m -64.84 -42.68 94.71 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.952 0.723 . . . . 0.76 112.952 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -102.78 -30.13 11.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.158 0.799 . . . . 1.1 113.158 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -63.51 -17.84 63.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.115 0.783 . . . . 3.79 113.115 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.5 m -62.71 -34.3 76.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.187 0.448 . . . . 1.74 110.372 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -97.95 -21.95 16.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.275 0.63 . . . . 1.82 111.545 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.18 -16.6 57.74 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.733 1.012 . . . . 1.0 113.733 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.32 6.98 34.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 113.281 0.845 . . . . 1.8 113.281 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -76.92 -31.17 56.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.751 0.42 . . . . 2.01 112.051 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -127.88 137.53 52.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.706 0.402 . . . . 1.59 111.557 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.76 92.04 0.01 OUTLIER Glycine 0 C--N 1.349 1.299 0 N-CA-C 116.093 1.197 . . . . 1.2 116.093 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? 58.82 169.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.009 1.114 . . . . 3.16 114.009 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -93.09 -33.53 14.03 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.88 -0.6 . . . . 1.46 112.006 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.5 67.36 2.87 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.629 0.372 . . . . 1.43 111.923 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 p -169.28 154.44 5.85 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.934 0.716 . . . . 1.33 112.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.21 141.78 33.6 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.629 -0.878 . . . . 0.88 108.629 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -79.89 143.85 33.92 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.839 0.291 . . . . 0.99 111.513 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.96 -26.0 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 N-CA-C 112.581 0.586 . . . . 0.73 112.581 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -87.02 -32.62 19.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.496 0.318 . . . . 0.92 111.044 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.42 -22.92 28.13 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.822 0.675 . . . . 1.54 112.822 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -35.37 80.22 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.367 0.531 . . . . 0.79 110.244 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.01 -41.96 63.72 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.978 0.511 . . . . 0.97 110.809 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.97 -34.38 77.98 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.05 0.219 . . . . 0.73 110.867 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.58 -38.68 92.06 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.634 0.374 . . . . 0.84 110.775 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.0 t -73.07 -31.94 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 122.763 0.425 . . . . 0.61 111.345 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.67 31.9 4.17 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 112.058 0.392 . . . . 0.8 112.058 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.36 -60.95 0.17 Allowed 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.923 -0.486 . . . . 1.41 111.919 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.23 1.41 18.63 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.778 0.658 . . . . 0.97 112.778 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.9 tp -142.22 47.83 0.99 Allowed Pre-proline 0 CA--C 1.561 1.397 0 CA-C-N 118.445 0.566 . . . . 0.85 111.787 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -83.3 -39.17 0.13 Allowed 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.19 1.927 . . . . 0.52 114.822 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -73.77 -21.6 60.12 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.791 0.663 . . . . 0.98 112.791 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -68.67 -52.76 27.58 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.995 0.368 . . . . 1.12 111.995 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.49 134.68 39.38 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 110.361 -0.237 . . . . 0.94 110.361 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -63.9 -31.47 72.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.719 0.266 . . . . 1.91 111.719 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -109.99 120.16 41.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.976 0.51 . . . . 2.08 109.924 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.07 -15.26 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.761 0.652 . . . . 0.75 112.761 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.15 -49.21 1.25 Allowed Glycine 0 C--N 1.353 1.502 0 CA-C-N 117.791 0.269 . . . . 0.83 113.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -86.86 77.93 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.974 0.416 . . . . 1.26 111.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.45 13.77 32.16 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.905 -0.589 . . . . 1.59 111.094 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.91 -34.62 78.55 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 112.25 0.463 . . . . 0.77 112.25 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -67.26 -28.38 67.99 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.567 0.347 . . . . 1.09 110.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.86 -45.36 8.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.399 0.68 . . . . 1.92 110.984 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.0 ttp -52.16 -43.73 64.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.221 0.608 . . . . 1.09 112.301 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.61 -37.28 73.82 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 122.924 0.14 . . . . 3.13 111.265 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.1 m -68.73 -31.28 70.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.353 0.261 . . . . 1.0 111.107 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -76.01 -55.79 5.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.025 0.53 . . . . 0.96 110.883 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.6 72.78 10.64 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 120.967 0.413 . . . . 1.39 109.931 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 p -92.09 -24.38 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-N 116.062 -0.517 . . . . 0.82 111.527 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -72.34 -28.12 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.786 0.434 . . . . 1.74 111.8 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.78 89.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.89 0.876 . . . . 2.45 111.188 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -141.16 -70.13 0.37 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.325 0.25 . . . . 1.41 110.974 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -174.17 -58.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.941 0.496 . . . . 1.61 110.507 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -113.73 157.85 21.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.734 0.414 . . . . 2.42 111.319 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.32 103.66 16.27 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.754 -0.657 . . . . 1.23 112.022 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.28 177.82 2.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.646 0.378 . . . . 2.35 109.997 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.46 -31.0 69.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.447 0.567 . . . . 1.43 110.314 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -70.72 -29.43 65.69 Favored 'General case' 0 CA--C 1.552 1.04 0 O-C-N 123.211 0.319 . . . . 1.24 110.634 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.21 -40.29 13.8 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.789 0.436 . . . . 1.03 110.225 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -73.19 -12.95 61.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.37 0.668 . . . . 0.79 111.261 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -53.15 -26.12 15.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.433 1.093 . . . . 1.98 113.075 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -68.76 -26.96 65.49 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 118.223 0.465 . . . . 2.48 111.821 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 tp -90.57 -31.1 16.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 110.085 -0.339 . . . . 0.59 110.085 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.9 mm -51.51 -38.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.881 -0.414 . . . . 0.91 109.881 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.38 -41.51 77.61 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 110.86 -0.896 . . . . 0.49 110.86 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.199 0.599 . . . . 0.86 112.037 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.39 -46.11 91.53 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.52 0.328 . . . . 0.95 111.061 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.26 -16.17 44.12 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.643 0.609 . . . . 1.12 112.643 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.14 -29.24 17.38 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.268 0.627 . . . . 1.46 111.35 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -86.8 -27.53 23.5 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.816 0.447 . . . . 1.65 112.088 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -46.06 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 117.984 0.357 . . . . 0.93 111.753 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -37.38 24.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 119.582 -0.247 . . . . 2.16 111.538 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -152.71 109.87 3.52 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 112.633 0.605 . . . . 1.87 112.633 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -38.19 7.52 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.118 -0.697 . . . . 2.47 109.118 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.7 67.89 1.25 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.262 -1.385 . . . . 1.83 107.262 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -49.05 -34.51 13.63 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.335 1.235 . . . . 1.81 114.335 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.12 -32.91 33.57 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 112.014 0.376 . . . . 1.45 112.014 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -82.87 -60.74 2.07 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.365 0.266 . . . . 2.03 111.401 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -113.99 131.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.279 0.631 . . . . 1.24 109.92 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.75 37.66 1.19 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.323 0.86 . . . . 2.8 113.323 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 70.67 0.24 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.225 0.536 . . . . 2.08 111.196 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 tttp . . . . . 0 N--CA 1.47 0.541 0 CA-C-N 115.577 -0.738 . . . . 1.94 110.126 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.277 0.473 . . . . 2.04 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.3 165.25 13.19 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 111.865 0.321 . . . . 0.9 111.865 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.59 127.74 48.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.531 0.333 . . . . 1.0 111.434 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -129.94 136.85 29.69 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.148 0.579 . . . . 1.1 110.269 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.31 134.75 12.95 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.49 2.127 . . . . 1.08 112.818 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -123.18 -59.24 1.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.843 0.457 . . . . 1.32 111.474 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -120.72 168.18 11.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.453 0.701 . . . . 1.51 109.7 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.1 -47.1 75.43 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.864 0.69 . . . . 1.51 112.864 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.84 -36.23 70.11 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.154 0.427 . . . . 0.84 112.154 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.71 -43.27 72.74 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.816 -0.439 . . . . 0.95 109.816 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.98 -34.88 76.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.513 0.725 . . . . 0.85 111.753 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -59.78 -56.17 25.19 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.846 0.313 . . . . 1.04 111.846 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.88 -25.65 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 117.701 0.228 . . . . 1.1 111.409 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -69.76 -31.34 69.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.406 0.682 . . . . 1.0 111.779 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.25 -26.74 67.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.524 0.33 . . . . 1.34 111.718 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -76.36 -26.55 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 122.88 0.472 . . . . 0.78 110.337 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.7 10.89 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 C-N-CA 123.235 0.614 . . . . 0.97 111.856 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -127.51 -43.48 1.59 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.665 0.617 . . . . 0.88 112.665 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -68.37 -48.49 64.61 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.522 0.564 . . . . 0.75 112.522 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -93.48 -8.83 40.44 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.164 0.801 . . . . 1.21 113.164 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -22.26 61.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.326 0.491 . . . . 3.66 112.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -69.86 -34.18 73.25 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.456 0.302 . . . . 1.51 110.99 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.75 -29.5 14.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.076 0.55 . . . . 1.82 112.172 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -19.32 58.26 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 113.41 0.893 . . . . 0.91 113.41 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -84.14 0.37 48.84 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.112 0.782 . . . . 2.05 113.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.33 -31.72 48.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.118 0.414 . . . . 1.91 112.118 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -132.78 141.98 48.77 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.989 0.366 . . . . 1.45 111.989 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.34 81.64 0.07 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 119.57 -0.572 . . . . 1.1 114.096 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? 59.46 171.55 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.59 0.756 . . . . 3.19 112.236 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -90.65 -42.0 11.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.679 0.391 . . . . 1.24 111.356 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.98 -23.49 48.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.373 0.509 . . . . 1.36 112.373 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.3 t -90.79 147.77 22.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.067 0.766 . . . . 1.36 113.067 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.0 158.87 15.25 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 115.438 -0.801 . . . . 0.9 109.946 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -86.69 154.06 21.26 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 120.562 0.22 . . . . 1.1 111.416 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.86 -20.7 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 112.898 0.703 . . . . 0.81 112.898 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -99.47 -36.99 9.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.761 0.424 . . . . 0.95 111.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.27 -38.67 88.36 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.83 0.678 . . . . 1.61 112.83 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.94 89.18 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.041 0.382 . . . . 0.78 110.979 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.02 -36.77 84.66 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.244 0.34 . . . . 0.9 111.181 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.75 -31.44 68.26 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.407 0.283 . . . . 0.69 110.9 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.55 -36.2 76.12 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.558 0.343 . . . . 0.88 111.184 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.74 -28.98 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.682 0.393 . . . . 0.62 111.579 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -92.46 -8.76 43.75 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.818 0.673 . . . . 0.83 112.818 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -123.41 -58.98 1.58 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.929 0.714 . . . . 1.3 112.929 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -96.44 -8.67 31.65 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.935 1.087 . . . . 0.84 113.935 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -143.24 49.58 1.2 Allowed Pre-proline 0 CA--C 1.559 1.324 0 CA-C-N 118.462 0.574 . . . . 0.88 111.962 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.9 -25.92 1.35 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.248 1.965 . . . . 0.52 114.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -80.58 -19.28 45.94 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.854 0.687 . . . . 0.95 112.854 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.43 -59.63 2.7 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.012 0.369 . . . . 1.22 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.43 114.14 22.95 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.883 -0.784 . . . . 0.84 108.883 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -51.55 -39.12 57.16 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.981 0.734 . . . . 1.78 112.981 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -93.29 110.33 21.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.356 0.262 . . . . 1.94 110.331 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -94.98 -31.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.491 0.317 . . . . 0.7 111.617 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 -49.49 3.29 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-O 119.904 -0.387 . . . . 0.67 112.828 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -82.21 90.09 6.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.022 0.439 . . . . 1.26 110.2 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.87 15.92 13.45 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.613 -0.722 . . . . 1.59 111.271 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.37 -31.92 60.66 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.203 0.446 . . . . 0.73 112.203 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.51 -38.73 90.57 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.208 0.203 . . . . 1.1 110.888 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -44.54 16.34 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.549 0.339 . . . . 1.93 110.596 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.2 ttp -55.44 -43.44 75.41 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.174 0.589 . . . . 1.04 112.152 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -64.21 -38.6 91.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.294 0.237 . . . . 3.0 110.584 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -72.32 -31.12 65.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.267 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.7 -63.21 1.1 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 122.463 0.305 . . . . 0.97 110.951 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.37 77.89 9.1 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 121.403 0.62 . . . . 1.32 109.676 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.88 -32.24 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.138 -0.937 . . . . 0.83 111.941 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -70.49 -21.4 62.77 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.197 0.443 . . . . 1.65 112.197 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 62.4 59.42 1.55 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.29 0.636 . . . . 2.44 111.39 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.59 17.94 3.33 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.985 -0.552 . . . . 1.3 111.851 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m 56.97 31.25 19.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.176 0.59 . . . . 1.67 112.332 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -138.98 126.0 21.16 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.97 0.508 . . . . 2.4 110.438 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.73 68.96 0.86 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 123.384 0.427 . . . . 1.43 110.38 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' B' ' 32' ' ' SER . 38.5 tttm -64.0 161.36 16.03 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.814 -0.613 . . . . 2.2 110.102 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.58 -28.92 34.83 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 118.881 0.764 . . . . 1.47 112.149 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.18 -34.23 70.73 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 122.385 0.274 . . . . 1.32 110.432 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.64 -31.33 17.58 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 0.93 110.34 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -79.98 -8.27 59.26 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.098 0.959 . . . . 0.75 111.171 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.17 57.03 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.912 0.885 . . . . 1.87 112.228 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -73.45 -27.58 61.5 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 111.843 0.312 . . . . 2.72 111.843 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -89.19 -32.4 17.47 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.567 0.347 . . . . 0.62 111.478 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mm -63.47 -37.4 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.692 -0.484 . . . . 1.18 109.692 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.0 92.42 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 111.823 -0.511 . . . . 0.44 111.823 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -77.42 -25.99 51.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.988 0.515 . . . . 0.91 110.958 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -48.12 81.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.822 0.449 . . . . 0.89 110.792 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.64 -32.91 62.43 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.218 0.451 . . . . 1.12 112.218 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.08 -28.36 62.25 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 122.632 0.373 . . . . 1.54 111.803 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 5.31 33.81 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.332 0.864 . . . . 1.68 113.332 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -36.76 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.582 0.628 . . . . 0.92 110.837 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -107.52 -29.98 8.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 113.458 0.911 . . . . 2.09 113.458 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -139.34 61.39 1.56 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 113.478 0.918 . . . . 1.96 113.478 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -35.41 55.34 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 109.774 -0.454 . . . . 2.66 109.774 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -137.51 70.14 1.4 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.214 -1.032 . . . . 1.65 108.214 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.614 0.968 . . . . 1.72 113.614 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.07 -44.9 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 111.771 0.286 . . . . 1.56 111.771 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -74.43 -48.85 25.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.912 0.485 . . . . 1.86 111.508 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 46.0 pt -127.83 145.41 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.228 0.611 . . . . 1.25 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -141.84 27.81 1.8 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.701 0.63 . . . . 2.97 112.701 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.75 101.33 0.57 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.181 -0.325 . . . . 2.3 111.759 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.087 -0.959 . . . . 2.1 109.976 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 120.703 0.287 . . . . 3.15 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.3 150.87 39.82 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 122.689 0.396 . . . . 1.19 111.048 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.19 107.05 15.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.473 -0.331 . . . . 1.01 110.247 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -106.18 129.73 24.09 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-O 119.078 -0.487 . . . . 1.02 110.218 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.67 126.03 21.1 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.785 2.323 . . . . 0.95 114.232 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.0 mt -125.16 -164.22 1.27 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.799 0.84 . . . . 1.29 109.551 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -55.67 159.65 2.89 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.486 0.584 . . . . 1.34 111.442 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -37.58 -57.98 0.91 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.883 1.438 . . . . 1.42 114.883 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.15 -31.08 67.27 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.188 0.449 . . . . 0.77 112.176 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.02 -29.8 63.29 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.878 -0.415 . . . . 1.03 109.878 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.23 -16.95 53.63 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.204 0.602 . . . . 0.81 111.763 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -57.53 -46.96 83.23 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.562 0.345 . . . . 1.04 111.44 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -87.49 -12.4 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 111.854 0.316 . . . . 1.07 111.854 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -75.33 -42.47 54.32 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.661 . . . . 1.0 111.33 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 m -64.05 -26.36 68.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.678 0.391 . . . . 1.16 111.807 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.1 t -73.62 -27.84 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 122.824 0.45 . . . . 0.64 110.566 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 t -90.46 11.93 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 C-N-CA 123.164 0.586 . . . . 0.95 111.438 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 p -124.06 -46.84 1.93 Allowed 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.844 -0.535 . . . . 0.93 111.869 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -62.81 -44.65 95.6 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.567 0.951 . . . . 0.76 113.567 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -103.16 -24.96 13.54 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.881 1.067 . . . . 1.1 113.881 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.8 -22.53 66.69 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 112.869 0.692 . . . . 3.79 112.869 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 m -69.49 -29.41 67.05 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 117.886 0.312 . . . . 1.74 110.949 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -93.42 -36.5 12.45 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.122 0.569 . . . . 1.82 111.205 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.29 -25.0 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.524 0.935 . . . . 1.0 113.524 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -60.87 -25.01 66.38 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.274 0.842 . . . . 1.8 113.274 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.18 -15.7 62.49 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.338 0.866 . . . . 2.01 113.338 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -122.69 105.53 10.15 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 112.956 0.725 . . . . 1.59 112.956 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 98.59 0.01 OUTLIER Glycine 0 C--N 1.352 1.432 0 N-CA-C 115.557 0.983 . . . . 1.2 115.557 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 56.77 168.82 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.089 0.956 . . . . 3.16 113.346 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -95.47 -8.82 34.29 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.415 0.894 . . . . 1.46 113.415 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.84 -31.08 11.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.374 0.879 . . . . 1.43 113.374 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.9 p -92.17 158.5 16.14 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.227 0.825 . . . . 1.33 113.227 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.0 167.52 11.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.627 0.771 . . . . 0.88 110.512 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 t -86.4 154.87 20.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.326 0.25 . . . . 0.99 111.098 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.26 -27.36 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.59 0.589 . . . . 0.73 112.59 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -101.53 -40.0 7.25 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.112 0.782 . . . . 0.92 113.112 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.19 -26.68 64.01 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.07 0.767 . . . . 1.54 113.07 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.29 86.44 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.376 0.535 . . . . 0.79 110.691 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.17 -34.83 78.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.789 0.436 . . . . 0.97 111.059 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.53 -35.43 80.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.268 0.355 . . . . 0.73 110.399 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.44 -39.68 85.41 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.67 0.388 . . . . 0.84 111.196 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.42 -27.59 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.651 0.38 . . . . 0.61 111.249 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.37 26.5 9.78 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 122.525 0.33 . . . . 0.8 111.886 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -145.69 -62.43 0.33 Allowed 'General case' 0 C--N 1.358 0.962 0 O-C-N 122.071 -0.393 . . . . 1.41 111.883 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -103.06 -12.79 17.16 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.712 0.634 . . . . 0.97 112.712 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 4.3 tp -130.52 39.41 0.51 Allowed Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 112.397 0.517 . . . . 0.85 112.397 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 93.6 Cg_endo -80.4 -28.2 3.05 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.13 1.886 . . . . 0.52 114.502 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -79.23 -9.85 59.67 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.79 0.663 . . . . 0.98 112.79 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.6 tp -87.47 -64.42 1.15 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.231 0.469 . . . . 1.12 110.985 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.74 108.8 16.37 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.904 -0.776 . . . . 0.94 108.904 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.12 -38.18 24.18 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.548 0.944 . . . . 1.91 113.548 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -104.43 99.18 8.87 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.817 -0.438 . . . . 2.08 109.817 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.9 m -96.24 -31.65 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.705 0.402 . . . . 0.75 111.623 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.33 -54.31 9.1 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 120.054 -0.303 . . . . 0.83 113.251 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.2 t -90.51 76.63 6.58 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.035 0.445 . . . . 1.26 110.323 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 49.97 0.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.85 -0.796 . . . . 1.59 108.85 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.1 -35.6 7.19 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.83 -0.623 . . . . 0.77 111.111 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.64 -30.47 71.49 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.282 0.233 . . . . 1.09 110.473 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -89.1 -35.3 16.37 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 123.082 0.553 . . . . 1.92 111.175 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.74 -38.87 76.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 111.967 0.358 . . . . 1.09 111.967 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.9 -34.16 77.18 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.173 0.189 . . . . 3.13 110.816 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 m -68.42 -35.99 78.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.619 0.368 . . . . 1.0 110.881 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.1 mt -70.82 -59.35 2.85 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 122.278 0.231 . . . . 0.96 110.46 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.58 85.14 6.03 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 120.899 0.381 . . . . 1.39 110.148 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.7 p -102.05 -22.86 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.742 -0.663 . . . . 0.82 111.979 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.05 -17.98 48.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.28 0.474 . . . . 1.74 112.28 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.23 86.16 0.13 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.499 0.72 . . . . 2.45 111.176 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -158.58 -78.07 0.07 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.825 0.45 . . . . 1.41 110.657 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.1 t 173.58 -43.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.155 0.982 . . . . 1.61 110.842 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.2 153.25 40.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.312 0.645 . . . . 2.42 112.536 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.64 84.92 2.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.79 -0.641 . . . . 1.23 110.144 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.72 164.05 5.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.229 0.612 . . . . 2.35 109.786 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -29.4 70.72 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.087 0.858 . . . . 1.43 111.826 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.36 -29.21 64.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.373 -0.602 . . . . 1.24 109.373 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.67 -46.03 14.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.494 0.717 . . . . 1.03 109.393 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -69.34 -15.97 63.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.953 0.901 . . . . 0.79 111.67 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -50.75 -31.79 17.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.845 0.858 . . . . 1.98 111.761 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -61.72 -38.79 89.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.535 0.334 . . . . 2.48 111.558 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tp -84.11 -35.44 23.69 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 119.212 -0.423 . . . . 0.59 111.132 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -53.28 -38.14 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 117.923 0.329 . . . . 0.91 110.351 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.69 86.4 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.028 -0.829 . . . . 0.49 111.028 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.26 -28.69 70.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.532 0.333 . . . . 0.86 111.317 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.6 -52.23 47.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 117.857 0.299 . . . . 0.95 110.357 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.09 -12.82 60.01 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 112.974 0.731 . . . . 1.12 112.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.28 -39.31 11.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.029 0.532 . . . . 1.46 110.504 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.25 30.4 2.51 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.164 0.586 . . . . 1.65 111.784 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -45.05 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.65 0.38 . . . . 0.93 110.43 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 -36.53 8.75 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.125 0.417 . . . . 2.16 112.125 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -127.96 58.49 1.51 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.475 0.546 . . . . 1.87 112.475 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.53 78.92 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 122.24 -0.287 . . . . 2.47 110.802 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -134.72 73.48 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.191 -1.04 . . . . 1.83 108.191 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.28 -34.84 72.75 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.568 0.951 . . . . 1.81 113.568 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp -73.9 -39.16 64.06 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.025 0.38 . . . . 1.45 112.025 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -79.09 -56.17 4.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.54 0.336 . . . . 2.03 111.637 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.13 148.86 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 122.81 0.444 . . . . 1.24 111.448 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -140.46 42.97 1.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.539 0.335 . . . . 2.8 111.736 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -168.41 121.19 0.84 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.068 0.396 . . . . 2.08 112.068 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 1.94 110.684 179.135 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.847 0.314 . . . . 2.04 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.13 24.01 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 122.8 0.44 . . . . 0.9 111.359 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.02 136.91 36.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.412 0.285 . . . . 1.0 111.428 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -138.76 146.18 49.19 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 122.871 0.468 . . . . 1.1 110.976 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -80.73 141.57 13.71 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.76 2.307 . . . . 1.08 112.811 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -139.02 -61.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 111.928 0.344 . . . . 1.32 111.928 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.06 169.08 10.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.256 0.622 . . . . 1.51 110.548 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.54 -41.33 89.82 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.945 0.498 . . . . 1.51 112.116 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.32 -37.21 45.15 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.362 0.265 . . . . 0.84 111.637 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.94 -34.43 71.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.581 0.352 . . . . 0.95 111.19 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.44 -35.57 70.96 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 122.471 0.308 . . . . 0.85 110.83 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -56.56 -48.38 77.45 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.734 0.414 . . . . 1.04 111.838 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.08 -26.36 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 122.393 0.277 . . . . 1.1 111.585 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -32.33 60.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.198 0.599 . . . . 1.0 111.952 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -61.0 -31.63 71.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.841 0.456 . . . . 1.34 112.105 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.37 -32.42 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.363 0.265 . . . . 0.78 111.08 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 t -84.07 -53.06 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.618 0.367 . . . . 0.97 111.436 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.4 p -59.21 -46.4 88.54 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.272 1.212 . . . . 0.88 114.272 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -65.36 -48.44 72.95 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.833 0.679 . . . . 0.75 112.833 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -92.53 18.61 8.34 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 113.031 0.752 . . . . 1.21 113.031 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -75.27 -26.93 59.18 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.646 0.657 . . . . 3.66 110.926 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -60.67 -43.21 97.94 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.82 0.448 . . . . 1.51 110.933 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -80.38 -39.75 27.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.333 0.253 . . . . 1.82 110.778 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.95 -29.99 69.97 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.455 0.909 . . . . 0.91 113.455 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -88.72 9.31 24.81 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.173 0.805 . . . . 2.05 113.173 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -75.07 -37.76 61.52 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 117.969 0.349 . . . . 1.91 110.945 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.74 -175.81 2.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.267 0.627 . . . . 1.45 110.564 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.19 163.42 2.35 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.744 0.658 . . . . 1.1 114.744 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? 64.53 139.46 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.128 0.971 . . . . 3.19 111.02 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -76.94 -64.85 1.03 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 122.389 -0.194 . . . . 1.24 111.326 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -89.52 71.64 7.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.444 -0.576 . . . . 1.36 109.444 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -156.18 141.59 17.61 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.07 -0.514 . . . . 1.36 112.269 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.92 141.76 32.3 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.193 0.597 . . . . 0.9 109.476 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.4 t -81.1 161.4 24.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.051 0.141 . . . . 1.1 111.077 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.07 -31.69 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 112.808 0.67 . . . . 0.81 112.808 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -104.6 25.73 9.93 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 111.893 0.331 . . . . 0.95 111.893 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -121.33 -45.37 2.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.942 0.497 . . . . 1.61 111.456 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -65.25 -33.38 75.85 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.624 0.193 . . . . 0.78 110.764 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -71.02 -41.67 70.54 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.371 0.419 . . . . 0.9 110.251 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -69.71 -30.0 67.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.382 0.273 . . . . 0.69 111.449 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.3 -36.0 78.67 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 110.361 -0.237 . . . . 0.88 110.361 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.0 t -74.02 -23.56 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.041 0.536 . . . . 0.62 110.89 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -98.66 -14.36 19.88 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 112.858 0.688 . . . . 0.83 112.858 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -111.3 -60.51 1.83 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.265 0.839 . . . . 1.3 113.265 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -107.57 2.24 23.88 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 114.166 1.173 . . . . 0.84 114.166 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.34 47.75 0.71 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-N 118.697 0.68 . . . . 0.88 112.317 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -88.65 -23.93 0.92 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.424 2.083 . . . . 0.52 115.158 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.88 -28.18 28.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.219 0.452 . . . . 0.95 112.219 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.74 -52.98 20.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.775 0.287 . . . . 1.22 111.775 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.68 115.87 29.66 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.527 -0.545 . . . . 0.84 109.527 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.148 0.796 . . . . 1.78 113.148 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -85.07 82.22 8.53 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.762 0.255 . . . . 1.94 110.35 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.9 -35.32 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 116.487 -0.324 . . . . 0.7 111.453 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.72 -38.04 5.93 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-O 119.801 -0.444 . . . . 0.67 113.197 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -91.65 74.1 5.86 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.172 0.486 . . . . 1.26 110.896 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 3.28 34.45 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.831 -0.622 . . . . 1.59 111.557 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.42 -27.24 67.68 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.67 0.619 . . . . 0.73 112.67 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -66.1 -47.92 72.6 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.439 0.296 . . . . 1.1 111.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -75.12 -34.35 61.68 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 119.425 -0.321 . . . . 1.93 110.665 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.4 ttp -50.94 -42.18 59.55 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.272 0.629 . . . . 1.04 112.432 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -69.62 -41.77 75.22 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.733 0.413 . . . . 3.0 110.916 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -71.43 -30.67 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.971 0.508 . . . . 1.0 111.809 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.16 -62.21 1.48 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.134 0.573 . . . . 0.97 110.779 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.93 77.09 6.99 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.269 0.557 . . . . 1.32 110.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 p -75.61 -29.9 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 115.377 -0.829 . . . . 0.83 111.488 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.01 -33.96 72.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.061 0.544 . . . . 1.65 111.902 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 66.07 68.53 0.45 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.291 0.636 . . . . 2.44 110.304 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.11 -63.9 1.35 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.963 -0.562 . . . . 1.3 110.8 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t 177.78 -49.75 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.488 0.715 . . . . 1.67 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.81 163.15 16.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.265 0.626 . . . . 2.4 111.205 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -96.33 99.03 10.75 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 1.43 110.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.54 166.3 19.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.92 -1.141 . . . . 2.2 107.92 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -20.96 62.49 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.02 0.827 . . . . 1.47 112.316 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.63 -29.81 61.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.408 -0.59 . . . . 1.32 109.408 175.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.27 -41.27 14.74 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 123.332 0.653 . . . . 0.93 109.781 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -67.58 -17.95 64.82 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.615 0.766 . . . . 0.75 110.563 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -37.98 -43.41 0.71 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 126.217 1.807 . . . . 1.87 113.982 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -68.69 -32.78 72.84 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.198 0.814 . . . . 2.72 113.198 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -73.77 -28.72 61.81 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.227 0.467 . . . . 0.62 111.352 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 mm -68.51 -38.82 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 109.607 -0.516 . . . . 1.18 109.607 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.26 -38.89 88.06 Favored Glycine 0 C--N 1.358 1.804 0 N-CA-C 111.948 -0.461 . . . . 0.44 111.948 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.32 -25.18 54.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.681 0.393 . . . . 0.91 110.233 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -48.69 80.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.189 0.596 . . . . 0.89 110.964 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.36 -25.68 57.92 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.74 0.645 . . . . 1.12 112.74 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -75.98 -35.76 59.49 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.799 0.296 . . . . 1.54 111.799 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -79.79 -12.86 59.75 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.993 0.738 . . . . 1.68 112.993 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -42.59 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.686 0.675 . . . . 0.92 111.503 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -98.96 -43.39 6.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.501 0.321 . . . . 2.09 111.405 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -125.27 81.94 2.01 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 112.79 0.663 . . . . 1.96 112.79 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -84.84 -33.19 22.92 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 109.308 -0.627 . . . . 2.66 109.308 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -140.69 75.12 1.49 Allowed 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.68 0.792 . . . . 1.65 108.907 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -76.44 70.21 2.99 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.407 0.622 . . . . 1.72 110.816 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -171.3 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.239 -0.891 . . . . 1.56 109.93 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -93.43 -44.83 8.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.214 0.606 . . . . 1.86 110.265 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 10.9 pt -130.59 116.49 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.102 0.561 . . . . 1.25 111.296 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -140.3 50.4 1.7 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.939 0.399 . . . . 2.97 111.554 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -161.77 41.14 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 111.828 0.307 . . . . 2.3 111.828 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.01 -0.995 . . . . 2.1 110.757 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 113.116 0.784 . . . . 3.15 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.9 136.9 48.45 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.896 0.478 . . . . 1.19 110.435 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 116.46 22.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.527 0.203 . . . . 1.01 111.435 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.05 140.76 21.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 122.903 0.481 . . . . 1.02 110.711 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -62.95 138.2 66.76 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.532 2.155 . . . . 0.95 113.073 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -136.7 -122.87 0.15 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 118.796 -0.621 . . . . 1.29 110.182 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m -72.16 163.59 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 119.425 1.011 . . . . 1.34 110.651 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.67 -40.4 39.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 112.941 0.719 . . . . 1.42 112.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.59 -42.22 43.32 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.788 0.267 . . . . 0.77 110.982 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.25 -31.73 72.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.136 0.174 . . . . 1.03 110.755 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.32 -28.78 62.27 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.218 0.607 . . . . 0.81 111.36 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -57.82 -60.59 3.47 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 122.329 0.252 . . . . 1.04 110.858 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -66.7 -27.88 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.684 0.253 . . . . 1.07 111.684 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -63.73 -40.86 97.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 1.0 111.862 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 m -64.41 -33.05 74.97 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.532 0.333 . . . . 1.16 111.127 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.7 t -70.3 -32.42 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.721 0.408 . . . . 0.64 110.995 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.85 -57.23 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.048 0.539 . . . . 0.95 111.851 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -62.5 -29.71 70.74 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.418 1.266 . . . . 0.93 114.418 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -75.56 -33.6 60.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.67 0.989 . . . . 0.76 113.67 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -107.61 -27.55 10.28 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.312 1.227 . . . . 1.1 114.312 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.71 -20.17 66.18 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.8 0.727 . . . . 3.79 112.39 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.0 m -70.37 -31.33 68.53 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.409 0.284 . . . . 1.74 111.339 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.99 -28.71 13.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.737 0.415 . . . . 1.82 112.068 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.68 -23.36 49.61 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.626 0.972 . . . . 1.0 113.626 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -64.27 -24.38 67.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.085 1.142 . . . . 1.8 114.085 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -72.61 -25.18 61.22 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.369 0.877 . . . . 2.01 113.369 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -77.07 -41.66 41.41 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.077 0.769 . . . . 1.59 113.077 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.91 122.69 0.69 Allowed Glycine 0 C--N 1.349 1.261 0 C-N-CA 120.882 -0.675 . . . . 1.2 113.227 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? 62.96 141.74 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.798 0.839 . . . . 3.16 111.091 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.81 -38.96 57.65 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.027 0.751 . . . . 1.46 113.027 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.67 27.88 3.68 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.155 0.428 . . . . 1.43 112.155 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -135.03 145.7 48.29 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.899 0.479 . . . . 1.33 110.794 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mp -99.15 162.46 13.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 0.88 110.646 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 t -87.43 165.93 15.19 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.718 0.407 . . . . 0.99 111.612 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -89.51 -25.68 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 122.883 0.473 . . . . 0.73 112.003 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -97.52 -38.81 9.43 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.851 0.315 . . . . 0.92 111.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.12 -35.48 74.13 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.446 0.536 . . . . 1.54 112.446 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -27.92 67.79 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.987 0.358 . . . . 0.79 111.124 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.07 -36.93 80.63 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 122.63 0.372 . . . . 0.97 110.099 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.03 -33.59 72.18 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.792 0.437 . . . . 0.73 110.455 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.06 -38.41 86.11 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.255 0.622 . . . . 0.84 111.414 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 ' HA ' ' HB3' ' A' ' 46' ' ' LEU . 51.1 t -81.64 -24.27 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 122.696 0.398 . . . . 0.61 111.399 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.4 m -90.89 -3.38 57.39 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.662 0.616 . . . . 0.8 112.662 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -131.75 -56.14 1.0 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 112.805 0.669 . . . . 1.41 112.805 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -99.81 2.53 44.08 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.543 0.942 . . . . 0.97 113.543 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 42' ' ' VAL . 4.5 tp -146.67 47.56 0.61 Allowed Pre-proline 0 CA--C 1.563 1.445 0 CA-C-N 118.254 0.479 . . . . 0.85 111.327 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.5 -43.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.315 2.01 . . . . 0.52 114.326 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -63.2 -34.45 77.67 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.919 0.34 . . . . 0.98 111.919 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.39 -55.44 13.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.582 0.353 . . . . 1.12 110.453 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -113.58 81.85 1.58 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.702 -0.851 . . . . 0.94 108.702 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -57.49 -33.53 68.1 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.804 1.039 . . . . 1.91 113.804 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.25 78.4 6.92 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.054 0.454 . . . . 2.08 110.095 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.14 -32.48 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.897 -0.592 . . . . 0.75 112.292 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.69 59.22 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 119.693 -0.504 . . . . 0.83 113.516 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -90.95 53.2 2.32 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.248 0.524 . . . . 1.26 111.287 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -17.76 33.19 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.513 -0.312 . . . . 1.59 110.458 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -60.31 -31.53 70.36 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.626 0.371 . . . . 0.77 111.154 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.42 -36.86 74.26 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.851 0.46 . . . . 1.09 110.633 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.1 -39.28 13.73 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.897 0.479 . . . . 1.92 110.5 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 ttp -57.08 -33.98 67.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.173 0.589 . . . . 1.09 112.131 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.91 -37.21 85.49 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.349 0.26 . . . . 3.13 110.591 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.9 m -74.96 -31.13 61.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.859 0.464 . . . . 1.0 111.044 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.11 -59.38 2.78 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 122.351 0.261 . . . . 0.96 110.593 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -80.97 73.41 8.0 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.078 0.466 . . . . 1.39 110.299 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -96.82 -34.0 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.881 -0.599 . . . . 0.82 111.531 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -73.55 -27.89 61.58 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.553 0.341 . . . . 1.74 111.106 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 67.46 78.44 0.24 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.216 1.006 . . . . 2.45 111.836 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -143.33 8.45 1.59 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.885 -0.598 . . . . 1.41 112.157 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 61.09 18.33 8.91 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.294 0.638 . . . . 1.61 112.516 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -139.28 112.96 8.44 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.316 -0.624 . . . . 2.42 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.8 83.69 7.08 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.079 0.237 . . . . 1.23 111.624 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -60.97 164.86 4.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.056 -0.72 . . . . 2.35 109.056 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.69 -24.75 67.9 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.126 0.876 . . . . 1.43 112.273 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.6 -29.08 63.19 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.489 -0.56 . . . . 1.24 109.489 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.63 -40.69 15.93 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.547 -0.538 . . . . 1.03 109.547 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -71.66 -16.31 62.25 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.342 0.657 . . . . 0.79 111.267 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -53.53 -32.29 49.9 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.529 1.132 . . . . 1.98 112.666 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -69.02 -26.03 64.79 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.584 0.587 . . . . 2.48 112.584 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -84.46 -32.57 23.96 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.109 0.413 . . . . 0.59 111.359 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.96 -35.56 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 117.801 0.273 . . . . 0.91 110.409 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.72 -38.03 89.42 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 111.5 -0.64 . . . . 0.49 111.5 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.36 -32.94 69.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.854 0.461 . . . . 0.86 110.619 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.4 -50.76 72.53 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.026 0.53 . . . . 0.95 111.36 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.56 -16.69 47.59 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.224 0.824 . . . . 1.12 113.224 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -82.36 -35.82 27.43 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.182 0.446 . . . . 1.46 110.865 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -80.38 -21.96 41.8 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.583 0.586 . . . . 1.65 112.583 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -41.19 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-N 118.333 0.515 . . . . 0.93 111.486 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -47.05 12.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.23 0.212 . . . . 2.16 111.378 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -147.98 102.16 3.36 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.915 0.388 . . . . 1.87 111.812 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -38.36 13.06 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.032 -0.531 . . . . 2.47 109.72 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -117.39 81.49 1.66 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.085 -1.08 . . . . 1.83 108.085 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.32 63.3 1.39 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.307 0.484 . . . . 1.81 112.307 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.9 tp -176.43 -49.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.756 0.822 . . . . 1.45 110.805 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -81.22 -54.67 5.31 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.069 0.547 . . . . 2.03 111.734 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.06 127.72 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.686 0.394 . . . . 1.24 110.857 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -138.45 49.85 1.89 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.791 0.293 . . . . 2.8 111.791 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -170.63 101.43 0.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.566 0.347 . . . . 2.08 110.549 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.345 0.396 0 CA-C-O 121.018 0.437 . . . . 1.94 110.725 -179.35 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 120.181 0.039 . . . . 2.04 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 146.38 24.9 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.57 0.348 . . . . 0.9 110.882 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.78 111.69 23.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.485 0.314 . . . . 1.0 111.165 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -111.22 137.0 20.87 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 122.94 0.496 . . . . 1.1 110.671 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.11 145.48 11.05 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.429 2.086 . . . . 1.08 113.19 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.0 -65.16 0.49 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.64 0.376 . . . . 1.32 111.09 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 m -101.02 160.87 14.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.116 0.567 . . . . 1.51 110.043 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -55.79 -40.0 72.07 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.301 0.482 . . . . 1.51 112.301 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt -75.69 -39.08 58.06 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.684 0.394 . . . . 0.84 111.478 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.49 -36.15 78.53 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.127 -0.323 . . . . 0.95 110.127 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.142 0.577 . . . . 0.85 110.981 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -61.19 -53.83 51.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.35 0.26 . . . . 1.04 111.209 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.86 -18.56 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 112.186 0.439 . . . . 1.1 112.186 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -83.77 -38.51 21.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.299 0.64 . . . . 1.0 111.196 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -62.19 -31.83 72.39 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.558 0.343 . . . . 1.34 111.667 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.07 -32.12 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 110.355 -0.239 . . . . 0.78 110.355 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.45 -51.55 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.013 0.525 . . . . 0.97 110.894 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.7 p -60.47 -23.4 64.44 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.35 1.241 . . . . 0.88 114.35 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -85.02 -44.68 12.84 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.62 0.645 . . . . 0.75 112.132 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -98.32 3.14 48.66 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.444 1.275 . . . . 1.21 114.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -67.94 -33.27 74.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 119.546 1.067 . . . . 3.66 110.628 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -62.13 -38.41 88.86 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.855 0.462 . . . . 1.51 111.203 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -86.03 -32.7 21.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.818 0.447 . . . . 1.82 111.69 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.07 -26.83 63.23 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.608 0.966 . . . . 0.91 113.608 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -78.76 -1.95 37.12 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.857 1.058 . . . . 2.05 113.857 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.38 -36.34 79.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 118.296 0.498 . . . . 1.91 112.222 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -102.87 -175.94 2.95 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.661 0.384 . . . . 1.45 110.735 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.7 145.73 8.1 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 114.919 0.727 . . . . 1.1 114.919 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? 63.5 128.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.409 1.084 . . . . 3.19 111.475 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.43 -33.16 69.16 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.011 0.374 . . . . 1.24 112.011 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -98.38 33.69 2.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.571 0.349 . . . . 1.36 111.337 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -134.29 146.18 49.78 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 122.489 0.316 . . . . 1.36 111.441 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.93 151.83 21.28 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.051 -0.522 . . . . 0.9 110.346 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.0 t -80.45 148.97 30.28 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.677 -0.49 . . . . 1.1 109.677 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.27 -14.92 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 112.431 0.53 . . . . 0.81 112.431 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -102.48 -35.39 8.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.771 0.428 . . . . 0.95 111.538 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.65 -35.47 70.37 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 112.904 0.705 . . . . 1.61 112.904 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.82 -35.12 79.79 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.934 0.334 . . . . 0.78 110.474 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -67.67 -37.37 82.25 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.779 0.431 . . . . 0.9 110.574 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.59 -36.35 78.59 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.615 0.366 . . . . 0.69 110.923 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.35 -35.32 80.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.512 0.325 . . . . 0.88 110.54 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.32 -29.21 30.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.11 0.564 . . . . 0.62 111.092 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -101.49 13.61 34.46 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.181 0.437 . . . . 0.83 112.181 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -135.73 -46.1 0.67 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.212 0.449 . . . . 1.3 112.212 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -117.16 -14.46 10.52 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.426 0.898 . . . . 0.84 113.426 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.49 38.92 0.46 Allowed Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 112.789 0.663 . . . . 0.88 112.789 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -75.76 -36.87 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.192 1.928 . . . . 0.52 114.51 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.86 -24.39 62.5 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.446 0.535 . . . . 0.95 112.446 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.15 -60.16 2.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.45 0.3 . . . . 1.22 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.0 mt -92.27 108.52 20.02 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.188 -0.671 . . . . 0.84 109.188 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -52.22 -37.14 54.14 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.696 0.628 . . . . 1.78 112.696 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -99.24 82.43 2.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 122.355 0.262 . . . . 1.94 111.392 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.16 -32.4 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 111.803 0.298 . . . . 0.7 111.803 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.34 -43.37 8.02 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 119.807 -0.44 . . . . 0.67 112.429 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -87.06 78.2 8.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.103 0.477 . . . . 1.26 110.014 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.26 9.16 19.95 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.245 -0.889 . . . . 1.59 110.533 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.71 -34.9 65.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.961 0.356 . . . . 0.73 111.961 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.31 -35.53 77.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.248 0.219 . . . . 1.1 110.98 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.22 -29.58 19.16 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.102 0.561 . . . . 1.93 111.502 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 45.1 ttp -64.68 -41.5 96.01 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.631 0.604 . . . . 1.04 112.631 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.82 -42.13 77.64 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.998 0.363 . . . . 3.0 110.446 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -66.33 -38.56 87.94 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.467 0.307 . . . . 1.0 110.402 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.68 -41.81 95.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.456 0.703 . . . . 0.97 110.758 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -106.72 64.47 0.65 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.105 0.562 . . . . 1.32 110.359 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.22 -26.17 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 116.244 -0.434 . . . . 0.83 111.108 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.56 -28.57 66.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.051 0.54 . . . . 1.65 111.526 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 64.53 73.54 0.42 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.379 1.072 . . . . 2.44 112.558 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -152.14 15.82 0.63 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.237 0.458 . . . . 1.3 112.237 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t 57.2 29.22 16.31 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.762 0.825 . . . . 1.67 112.882 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -138.02 123.23 19.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.627 0.371 . . . . 2.4 110.088 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.55 76.47 1.83 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.53 0.332 . . . . 1.43 111.044 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -65.6 154.69 38.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.393 -0.966 . . . . 2.2 108.393 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -27.44 43.24 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 118.845 0.748 . . . . 1.47 112.959 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.42 -39.19 81.67 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 110.07 -0.344 . . . . 1.32 110.07 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -88.97 -23.79 22.57 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.348 0.659 . . . . 0.93 111.356 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -80.66 -6.1 57.9 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.028 0.531 . . . . 0.75 111.116 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -19.51 63.62 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.471 0.708 . . . . 1.87 112.564 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.53 -43.21 97.41 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 118.322 0.51 . . . . 2.72 111.495 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.0 tp -79.95 -23.24 41.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.392 0.277 . . . . 0.62 111.046 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.83 -35.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.771 0.428 . . . . 1.18 110.427 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.21 63.94 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 111.817 -0.513 . . . . 0.44 111.817 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.28 -14.92 59.22 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.91 111.313 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -56.99 13.34 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.403 0.681 . . . . 0.89 111.285 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.39 -6.04 56.93 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.66 0.615 . . . . 1.12 112.66 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -89.5 -32.8 17.02 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.886 0.312 . . . . 1.54 110.901 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -96.93 27.81 3.83 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.288 0.235 . . . . 1.68 111.592 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.22 -42.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.839 0.456 . . . . 0.92 110.157 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -32.06 9.94 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.608 0.363 . . . . 2.09 111.836 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -129.56 57.68 1.66 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 121.466 0.65 . . . . 1.96 111.351 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -39.1 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.81 -0.632 . . . . 2.66 111.182 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -127.15 74.34 1.5 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.974 -1.121 . . . . 1.65 107.974 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.0 74.13 2.89 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tp -173.94 -51.25 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.124 0.57 . . . . 1.56 111.054 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -91.49 -37.86 12.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.536 0.334 . . . . 1.86 111.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 25.0 pt -122.33 141.88 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.83 0.452 . . . . 1.25 110.674 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -149.53 19.99 0.93 Allowed 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.923 0.712 . . . . 2.97 112.923 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.65 102.09 2.36 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.721 0.296 . . . . 2.3 110.513 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.191 -0.909 . . . . 2.1 110.611 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 113.211 0.819 . . . . 3.15 113.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.8 149.09 37.54 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 122.727 0.411 . . . . 1.19 111.728 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.44 105.05 16.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.838 0.455 . . . . 1.01 110.769 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.28 144.0 27.29 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.257 0.623 . . . . 1.02 111.414 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.67 131.34 41.73 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.87 2.38 . . . . 0.95 113.364 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.9 mt -127.94 -146.83 0.34 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 109.171 -0.677 . . . . 1.29 109.171 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -63.13 178.29 0.52 Allowed 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.247 0.931 . . . . 1.34 111.839 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -55.24 -46.1 76.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.242 0.83 . . . . 1.42 113.242 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.72 -40.97 27.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.716 0.235 . . . . 0.77 111.383 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -66.27 -25.34 66.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.612 0.365 . . . . 1.03 111.603 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.83 -28.08 26.33 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.065 0.546 . . . . 0.81 111.036 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.4 m -56.96 -54.32 48.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.655 0.382 . . . . 1.04 111.114 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.61 -22.99 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 O-C-N 123.097 0.248 . . . . 1.07 111.53 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.85 -38.78 70.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.693 0.397 . . . . 1.0 110.407 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -58.8 -36.4 74.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.695 0.398 . . . . 1.16 111.557 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.09 -32.89 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.46 0.304 . . . . 0.64 110.979 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.59 -60.79 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 0.95 110.755 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -58.34 -32.48 68.56 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.628 0.974 . . . . 0.93 113.628 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.96 -41.6 82.2 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.393 0.516 . . . . 0.76 112.393 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -105.78 5.68 31.09 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.554 0.946 . . . . 1.1 113.554 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -71.98 -26.16 62.14 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 118.979 0.809 . . . . 3.79 110.858 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.6 m -67.15 -35.44 79.71 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.941 0.496 . . . . 1.74 110.781 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.71 -37.58 19.23 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.837 0.455 . . . . 1.82 110.592 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.27 73.88 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.848 0.684 . . . . 1.0 112.848 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.18 -14.47 59.45 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 112.744 0.646 . . . . 1.8 112.744 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.76 -37.03 85.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.683 0.623 . . . . 2.01 112.683 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.38 -170.85 1.83 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.024 0.529 . . . . 1.59 111.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.38 133.74 33.92 Favored Glycine 0 C--N 1.359 1.85 0 N-CA-C 114.861 0.704 . . . . 1.2 114.861 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 61.48 141.98 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.258 1.023 . . . . 3.16 113.043 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.32 -36.42 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.65 -0.705 . . . . 1.46 111.816 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -76.98 -16.97 59.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.313 0.857 . . . . 1.43 113.313 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.5 p -104.05 143.85 32.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.179 0.807 . . . . 1.33 113.179 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.11 148.6 22.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.656 0.782 . . . . 0.88 109.241 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -81.56 143.96 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 117.672 0.215 . . . . 0.99 111.088 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.13 -22.72 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 112.565 0.58 . . . . 0.73 112.565 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -93.32 -34.67 13.42 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.729 0.412 . . . . 0.92 111.622 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -75.0 -39.31 61.3 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.59 0.589 . . . . 1.54 112.59 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -33.63 76.04 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.796 0.271 . . . . 0.79 111.15 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -63.39 -35.79 81.58 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.241 0.338 . . . . 0.97 110.874 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.09 -32.08 71.26 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.501 0.32 . . . . 0.73 110.812 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.62 -30.94 71.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.941 0.497 . . . . 0.84 110.981 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -77.45 -32.54 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.845 0.458 . . . . 0.61 112.045 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.82 14.82 28.99 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.15 0.796 . . . . 0.8 113.15 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -141.52 -55.38 0.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.597 0.635 . . . . 1.41 112.653 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -106.74 -1.82 22.22 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.053 0.76 . . . . 0.97 113.053 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tp -144.23 46.77 0.67 Allowed Pre-proline 0 CA--C 1.562 1.41 0 CA-C-N 118.182 0.446 . . . . 0.85 112.081 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.54 -40.42 0.11 Allowed 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 122.183 1.922 . . . . 0.52 114.305 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -65.22 -25.69 67.8 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.234 0.457 . . . . 0.98 112.234 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -70.83 -56.0 7.28 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.642 0.377 . . . . 1.12 111.144 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -98.21 106.0 18.23 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.603 0.564 . . . . 0.94 110.255 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -51.92 -37.13 51.47 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 112.999 0.74 . . . . 1.91 112.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -102.05 94.5 5.8 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 123.321 0.388 . . . . 2.08 110.372 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -85.63 -26.55 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 112.149 0.425 . . . . 0.75 112.149 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.62 -56.18 3.02 Favored Glycine 0 C--N 1.355 1.626 0 CA-C-O 119.666 -0.519 . . . . 0.83 112.804 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -83.39 76.12 9.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.167 0.508 . . . . 1.26 110.66 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.92 -5.77 37.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.42 -0.809 . . . . 1.59 110.714 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.56 -33.32 69.8 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.397 0.888 . . . . 0.77 113.397 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -56.86 -40.56 76.37 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.925 0.33 . . . . 1.09 111.275 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -93.54 -25.98 17.34 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.295 0.372 . . . . 1.92 111.032 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 40.6 ttp -67.84 -38.29 82.99 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.679 0.392 . . . . 1.09 111.575 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -64.42 -37.85 88.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.389 -0.226 . . . . 3.13 110.389 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -77.01 -35.5 56.99 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.61 0.364 . . . . 1.0 110.484 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.75 -51.1 70.96 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.465 0.706 . . . . 0.96 110.978 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.3 70.09 5.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.554 -0.535 . . . . 1.39 109.554 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.9 p -90.49 -18.89 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 115.616 -0.72 . . . . 0.82 112.122 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -85.04 -20.82 29.85 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 111.976 0.361 . . . . 1.74 111.976 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 61.66 75.66 0.4 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.869 0.867 . . . . 2.45 111.398 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -150.17 18.03 0.86 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.017 -0.538 . . . . 1.41 112.204 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t 72.54 -54.6 0.69 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.273 1.029 . . . . 1.61 112.408 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.24 147.04 28.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 2.42 111.096 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.64 101.62 11.05 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.908 0.483 . . . . 1.23 110.966 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -65.16 171.7 3.54 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.055 -0.72 . . . . 2.35 109.055 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.84 -30.49 71.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.504 1.047 . . . . 1.43 111.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.64 -29.46 66.94 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 1.24 109.675 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.46 -39.08 23.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.097 0.559 . . . . 1.03 110.192 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -69.63 -18.96 63.63 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.507 0.723 . . . . 0.79 111.04 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -49.32 -29.5 6.14 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.151 1.38 . . . . 1.98 113.434 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -61.23 -38.49 86.84 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.724 0.41 . . . . 2.48 111.393 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.49 -27.02 32.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.207 0.317 . . . . 0.59 110.711 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.55 -39.35 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.727 0.411 . . . . 0.91 110.131 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.87 92.3 Favored Glycine 0 C--N 1.354 1.572 0 O-C-N 123.22 0.325 . . . . 0.49 112.516 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.38 -16.48 60.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.87 0.468 . . . . 0.86 112.011 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.07 -46.39 89.72 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.029 0.532 . . . . 0.95 111.386 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.08 -13.5 22.16 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.475 0.546 . . . . 1.12 112.475 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -80.04 -30.8 39.5 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.481 0.312 . . . . 1.46 110.377 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.51 -9.49 41.16 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.338 0.496 . . . . 1.65 112.338 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -39.37 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.659 0.663 . . . . 0.93 110.539 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -103.04 -39.59 6.83 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.349 0.5 . . . . 2.16 112.349 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -127.89 76.74 1.71 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.522 0.564 . . . . 1.87 112.522 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.22 -37.29 20.26 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.571 -0.286 . . . . 2.47 110.296 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -132.72 77.2 1.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.886 -1.153 . . . . 1.83 107.886 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -49.54 -38.91 32.74 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.347 1.24 . . . . 1.81 114.347 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.59 56.65 0.63 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.139 0.495 . . . . 1.45 111.077 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -164.0 -52.3 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.042 -0.526 . . . . 2.03 110.679 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.2 pt -132.08 123.82 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.215 0.606 . . . . 1.24 110.41 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -129.42 29.62 5.07 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.599 0.592 . . . . 2.8 112.599 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -154.75 85.63 1.11 Allowed 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.121 0.486 . . . . 2.08 111.238 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--N 1.351 0.651 0 CA-C-N 115.84 -0.618 . . . . 1.94 110.391 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 111.781 0.289 . . . . 2.04 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.39 146.13 23.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.729 0.412 . . . . 0.9 111.423 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.21 119.64 30.7 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 122.612 0.365 . . . . 1.0 110.776 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -114.74 141.27 26.5 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 122.845 0.458 . . . . 1.1 111.647 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.35 132.9 11.58 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.575 2.183 . . . . 1.08 112.832 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.88 -60.23 0.98 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.816 0.446 . . . . 1.32 111.262 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -119.65 164.77 15.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.485 0.714 . . . . 1.51 109.899 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -51.4 -54.01 30.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.975 0.731 . . . . 1.51 112.975 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.19 -35.93 80.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.056 0.391 . . . . 0.84 112.056 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.17 -37.08 75.08 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 110.335 -0.246 . . . . 0.95 110.335 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.56 -36.36 76.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.279 0.632 . . . . 0.85 111.252 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 -50.82 69.37 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.415 0.286 . . . . 1.04 111.564 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -78.68 -23.15 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 112.374 0.509 . . . . 1.1 112.374 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.61 -37.24 65.48 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.871 0.468 . . . . 1.0 110.767 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.52 0.328 . . . . 1.34 111.485 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.78 -34.36 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.516 0.326 . . . . 0.78 110.653 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.53 -59.04 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 122.931 0.492 . . . . 0.97 110.451 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -63.43 -19.34 64.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.774 1.398 . . . . 0.88 114.774 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.6 m -83.21 -40.78 19.2 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.75 0.704 . . . . 0.75 112.293 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -97.87 -21.91 16.64 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.201 0.815 . . . . 1.21 113.201 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.1 -18.22 63.16 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.325 0.861 . . . . 3.66 113.325 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -61.71 -33.98 74.98 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.229 0.468 . . . . 1.51 110.785 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.79 -24.09 12.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.108 0.563 . . . . 1.82 111.285 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.97 -21.64 65.96 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.345 0.869 . . . . 0.91 113.345 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -90.27 39.31 0.96 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.625 0.37 . . . . 2.05 111.177 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -114.43 -42.75 3.26 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.784 0.434 . . . . 1.91 111.946 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -115.52 102.24 9.62 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 112.782 0.66 . . . . 1.45 112.782 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 113.96 0.01 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 115.498 0.959 . . . . 1.1 115.498 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 57.6 151.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.355 1.062 . . . . 3.19 113.691 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -84.38 -33.93 23.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.739 -0.664 . . . . 1.24 112.103 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -99.97 43.65 1.05 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.485 0.55 . . . . 1.36 112.485 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 75.7 p -147.85 148.81 31.27 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 111.737 0.273 . . . . 1.36 111.737 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.79 136.17 37.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.077 0.551 . . . . 0.9 109.661 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t -74.37 157.89 34.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 111.893 0.331 . . . . 1.1 111.893 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.65 -33.2 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 116.075 -0.511 . . . . 0.81 112.127 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -88.91 -22.29 23.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.994 0.368 . . . . 0.95 111.994 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -84.11 -37.32 22.16 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.566 0.58 . . . . 1.61 112.566 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.89 -34.79 77.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.105 0.411 . . . . 0.78 110.984 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -59.43 -41.95 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.163 0.585 . . . . 0.9 110.745 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.02 -30.08 62.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.785 0.434 . . . . 0.69 111.168 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.01 -32.78 74.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.695 0.398 . . . . 0.88 110.935 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.64 -29.57 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 122.916 0.486 . . . . 0.62 110.892 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -106.08 41.88 1.34 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 122.912 0.485 . . . . 0.83 111.501 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -162.59 -59.99 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 O-C-N 122.276 -0.265 . . . . 1.3 111.401 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.69 -11.74 15.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.149 0.796 . . . . 0.84 113.149 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tp -134.31 44.89 1.31 Allowed Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 112.348 0.499 . . . . 0.88 112.348 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -85.03 -36.55 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 122.312 2.008 . . . . 0.52 115.642 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.28 -33.38 63.24 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.148 0.425 . . . . 0.95 112.148 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.84 -59.52 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.879 0.472 . . . . 1.22 111.199 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.35 111.01 23.46 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.004 -0.739 . . . . 0.84 109.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -28.93 66.73 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.096 0.776 . . . . 1.78 113.096 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.18 77.84 6.88 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 120.78 0.324 . . . . 1.94 110.697 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 m -88.4 -24.46 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 112.682 0.623 . . . . 0.7 112.682 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.81 -59.16 1.14 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-O 119.837 -0.424 . . . . 0.67 113.378 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.0 t -75.09 82.81 2.29 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.171 0.51 . . . . 1.26 111.476 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 -13.17 58.93 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.782 0.66 . . . . 1.59 112.782 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.39 -39.71 67.51 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.66 0.985 . . . . 0.73 113.66 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.9 -31.33 72.21 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.161 0.437 . . . . 1.1 111.249 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.11 47.25 1.22 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 122.808 0.443 . . . . 1.93 111.102 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttp -138.53 -49.98 0.55 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.454 0.302 . . . . 1.04 110.636 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -70.32 -34.03 72.21 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.071 0.232 . . . . 3.0 110.422 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -71.94 -31.9 66.79 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.685 0.394 . . . . 1.0 111.692 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.21 -60.7 2.12 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 110.154 -0.313 . . . . 0.97 110.154 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.28 71.2 10.54 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.313 0.578 . . . . 1.32 109.513 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -72.99 -29.61 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 115.608 -0.723 . . . . 0.83 112.066 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -75.08 -23.01 57.95 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.057 0.392 . . . . 1.65 112.057 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 65.61 74.81 0.36 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.442 0.697 . . . . 2.44 111.594 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.93 12.4 0.86 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 112.961 0.726 . . . . 1.3 112.961 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 62.5 m 58.6 24.79 12.43 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.217 0.821 . . . . 1.67 113.217 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -138.16 101.85 4.51 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.141 -0.688 . . . . 2.4 109.141 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.86 87.97 7.16 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.485 0.314 . . . . 1.43 111.837 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -67.15 174.94 2.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.903 -0.777 . . . . 2.2 108.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.57 -20.47 66.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.285 0.948 . . . . 1.47 111.447 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.91 -31.75 56.92 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.697 -0.483 . . . . 1.32 109.697 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.64 -48.08 9.85 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.905 0.482 . . . . 0.93 109.993 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.53 -21.08 66.58 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.592 0.757 . . . . 0.75 110.354 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -32.5 -49.07 0.2 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.224 1.81 . . . . 1.87 113.959 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.61 -36.32 71.61 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.758 0.651 . . . . 2.72 112.758 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -74.59 -39.52 62.15 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.341 -0.362 . . . . 0.62 111.259 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.54 -31.36 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 109.875 -0.417 . . . . 1.18 109.875 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.11 -40.21 88.31 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.681 -0.968 . . . . 0.44 110.681 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.8 -26.5 61.53 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 122.993 0.517 . . . . 0.91 111.174 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.01 -58.72 7.42 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.833 0.453 . . . . 0.89 110.87 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.43 -15.95 56.96 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.97 0.729 . . . . 1.12 112.97 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -84.14 -37.4 21.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.035 0.38 . . . . 1.54 110.541 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.56 26.13 6.43 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.774 0.657 . . . . 1.68 112.774 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -39.02 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.578 -0.897 . . . . 0.92 108.578 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -103.16 -33.46 9.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.18 0.592 . . . . 2.09 111.919 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -128.61 62.13 1.47 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.314 0.487 . . . . 1.96 112.314 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -73.61 -42.5 61.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 122.391 -0.193 . . . . 2.66 110.89 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -128.02 73.13 1.44 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.335 -0.617 . . . . 1.65 109.335 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.95 69.8 2.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.384 0.611 . . . . 1.72 111.072 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 tp -162.0 -53.23 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.493 -0.776 . . . . 1.56 110.968 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -100.55 -41.41 6.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.819 0.447 . . . . 1.86 111.209 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 pt -120.6 125.26 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.092 0.557 . . . . 1.25 110.208 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -142.19 36.15 1.53 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.431 0.53 . . . . 2.97 112.431 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -162.23 103.5 1.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.158 0.429 . . . . 2.3 112.158 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.227 -0.892 . . . . 2.1 110.383 178.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 112.704 0.631 . . . . 3.15 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 155.88 16.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.351 0.26 . . . . 1.19 111.469 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 118.29 36.37 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 122.803 0.441 . . . . 1.01 110.76 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.77 132.79 20.58 Favored Pre-proline 0 N--CA 1.477 0.903 0 CA-C-O 119.125 -0.464 . . . . 1.02 110.842 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -63.43 126.62 18.05 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.392 2.061 . . . . 0.95 112.374 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.3 mt -124.75 -154.64 0.63 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.18 0.592 . . . . 1.29 110.313 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -56.91 156.7 6.41 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.438 0.563 . . . . 1.34 111.595 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -36.64 -53.06 0.9 Allowed 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 114.667 1.358 . . . . 1.42 114.667 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.7 -43.29 76.35 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.104 0.411 . . . . 0.77 111.571 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.27 -31.25 71.95 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.268 0.355 . . . . 1.03 111.297 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -80.04 -25.31 40.21 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.986 0.515 . . . . 0.81 112.018 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.6 m -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 117.762 0.255 . . . . 1.04 110.569 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.76 -18.55 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.484 0.314 . . . . 1.07 111.535 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -72.8 -41.86 64.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.287 0.635 . . . . 1.0 110.845 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 m -59.19 -28.12 66.34 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 122.824 0.449 . . . . 1.16 111.597 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.86 -26.99 38.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.976 0.51 . . . . 0.64 111.184 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.26 40.38 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.319 0 C-N-CA 123.039 0.536 . . . . 0.95 110.913 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -149.05 -49.53 0.15 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.459 0.54 . . . . 0.93 112.459 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -62.99 -53.66 50.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.087 0.403 . . . . 0.76 112.087 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -100.79 8.86 43.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.306 0.484 . . . . 1.1 112.306 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -68.38 -28.93 67.54 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.332 0.515 . . . . 3.79 111.101 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m -63.05 -39.7 95.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.616 0.367 . . . . 1.74 110.73 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.89 -26.88 33.77 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.442 0.297 . . . . 1.82 111.041 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.82 75.14 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.342 0.497 . . . . 1.0 112.342 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -81.84 -1.83 48.88 Favored 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 113.15 0.796 . . . . 1.8 113.15 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -65.05 -42.53 94.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.255 0.48 . . . . 2.01 111.102 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -94.11 -176.7 4.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.04 0.536 . . . . 1.59 110.484 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.38 151.2 8.03 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.304 0.482 . . . . 1.2 114.304 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 63.29 115.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.929 0.892 . . . . 3.16 111.252 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.66 -37.59 86.93 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.309 0.485 . . . . 1.46 112.309 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -94.49 30.74 1.91 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 111.922 0.341 . . . . 1.43 111.922 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 t -135.42 156.6 48.65 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 122.978 0.511 . . . . 1.33 111.148 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.16 151.9 25.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.854 0.462 . . . . 0.88 110.13 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -80.55 157.48 26.07 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 110.596 -0.149 . . . . 0.99 110.596 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -30.86 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 112.058 0.392 . . . . 0.73 112.058 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -90.56 -32.35 16.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.649 0.38 . . . . 0.92 111.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.62 -35.61 65.36 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.396 0.517 . . . . 1.54 112.396 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -35.89 82.44 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.851 0.296 . . . . 0.79 110.396 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -63.63 -39.4 94.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.847 0.459 . . . . 0.97 110.895 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.06 -32.54 73.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.516 0.326 . . . . 0.73 110.993 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.8 tp -66.73 -31.61 72.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.585 0.354 . . . . 0.84 111.007 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -81.4 -21.7 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.733 0.413 . . . . 0.61 111.756 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -110.43 34.48 3.91 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 118.146 0.43 . . . . 0.8 112.108 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.27 -48.63 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.485 0.55 . . . . 1.41 112.485 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -110.14 -21.81 12.09 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.709 0.633 . . . . 0.97 112.709 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -128.8 40.62 0.62 Allowed Pre-proline 0 CA--C 1.565 1.544 0 N-CA-C 112.4 0.519 . . . . 0.85 112.4 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.76 -37.24 0.27 Allowed 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.054 1.836 . . . . 0.52 114.496 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -69.25 -27.21 65.25 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.216 0.45 . . . . 0.98 112.216 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.2 -61.58 1.78 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.086 0.154 . . . . 1.12 110.9 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -84.84 113.79 21.62 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 108.695 -0.854 . . . . 0.94 108.695 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -34.26 51.89 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.312 0.856 . . . . 1.91 113.312 -178.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -106.86 116.89 32.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.748 0.419 . . . . 2.08 110.292 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.9 m -105.49 -34.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 112.393 0.516 . . . . 0.75 112.393 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.94 -53.87 5.58 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 120.002 -0.332 . . . . 0.83 113.292 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 t -88.26 74.84 8.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.169 0.509 . . . . 1.26 110.836 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -2.72 57.62 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.871 -0.604 . . . . 1.59 111.453 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.85 -23.24 66.14 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.426 0.899 . . . . 0.77 113.426 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.88 -42.36 97.51 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.03 0.377 . . . . 1.09 111.179 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.58 -27.02 17.62 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.377 0.423 . . . . 1.92 111.818 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.2 ttp -56.82 -34.4 67.69 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.375 0.509 . . . . 1.09 112.375 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.71 -39.39 93.57 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.533 0.333 . . . . 3.13 111.32 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -68.83 -32.98 73.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.433 0.293 . . . . 1.0 111.373 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.6 mt -71.82 -54.97 8.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.57 0.348 . . . . 0.96 110.609 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.0 64.86 4.72 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.982 0.42 . . . . 1.39 110.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -89.81 -35.03 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.957 -0.565 . . . . 0.82 110.262 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.79 -33.19 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.747 0.419 . . . . 1.74 110.011 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 64.44 82.57 0.18 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.118 0.967 . . . . 2.45 111.94 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.49 18.88 0.93 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.849 -0.614 . . . . 1.41 111.846 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.9 t 58.79 25.58 13.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.707 0.803 . . . . 1.61 113.003 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -144.37 127.01 16.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.676 -0.491 . . . . 2.42 109.676 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -104.61 82.26 1.88 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.007 0.432 . . . . 1.23 110.883 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -68.18 156.82 36.75 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.757 -0.656 . . . . 2.35 109.61 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.39 -30.92 61.32 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.665 0.666 . . . . 1.43 112.059 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -67.56 -26.82 66.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 117.644 0.202 . . . . 1.24 110.952 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.29 -31.7 11.22 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.5 0.72 . . . . 1.03 111.194 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -82.78 -4.13 57.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.867 0.867 . . . . 0.79 112.385 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -17.94 64.97 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.113 0.415 . . . . 1.98 111.889 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -64.29 -35.38 80.68 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 110.272 -0.27 . . . . 2.48 110.272 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.8 tp -81.59 -36.61 28.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 109.851 -0.425 . . . . 0.59 109.851 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mm -58.3 -41.69 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 122.725 0.41 . . . . 0.91 110.05 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.08 83.61 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 111.522 -0.631 . . . . 0.49 111.522 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.75 -21.44 61.02 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.304 0.642 . . . . 0.86 111.421 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.5 -46.52 75.97 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.593 -0.521 . . . . 0.95 109.593 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.97 -12.21 55.65 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.926 -0.579 . . . . 1.12 111.954 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -89.18 -44.21 10.46 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 122.56 0.344 . . . . 1.46 110.567 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.2 51.41 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.118 0.485 . . . . 1.65 110.849 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.56 -42.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.536 0.734 . . . . 0.93 109.561 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.23 -29.49 9.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.044 0.537 . . . . 2.16 111.248 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -120.06 33.73 5.49 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.752 0.649 . . . . 1.87 112.752 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 122.027 -0.421 . . . . 2.47 110.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -142.23 57.84 1.46 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.944 -0.761 . . . . 1.83 108.944 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.63 -27.91 69.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.022 0.749 . . . . 1.81 113.022 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.93 -35.6 78.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 111.919 0.34 . . . . 1.45 111.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -96.54 -60.9 1.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.721 0.408 . . . . 2.03 111.415 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.72 145.69 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 122.855 0.462 . . . . 1.24 110.94 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -147.29 50.34 1.09 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.985 0.735 . . . . 2.8 112.985 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -172.34 120.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.63 0.372 . . . . 2.08 111.527 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.009 0.433 . . . . 1.94 110.659 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 CA--C 1.552 1.051 0 N-CA-C 111.953 0.353 . . . . 2.04 111.953 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.36 140.06 43.0 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 123.011 0.524 . . . . 0.9 110.946 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.31 133.31 36.62 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 111.44 0.163 . . . . 1.0 111.44 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -136.77 147.24 58.55 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 122.94 0.496 . . . . 1.1 111.632 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 142.05 70.69 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.729 2.286 . . . . 1.08 113.171 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -141.44 -51.49 0.43 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 111.879 0.326 . . . . 1.32 111.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -146.98 164.32 33.35 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.255 0.622 . . . . 1.51 109.964 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -51.69 -43.29 62.7 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.689 0.625 . . . . 1.51 112.689 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.53 -38.35 26.37 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.578 0.172 . . . . 0.84 111.278 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.08 -29.38 69.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.216 0.206 . . . . 0.95 110.671 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.33 -29.27 42.25 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.138 0.575 . . . . 0.85 110.695 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -57.25 -49.98 74.32 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.452 0.301 . . . . 1.04 111.526 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.4 -27.47 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 116.678 -0.237 . . . . 1.1 111.435 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.61 -36.86 70.94 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.956 0.503 . . . . 1.0 111.63 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -60.38 -33.43 72.45 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.626 0.37 . . . . 1.34 111.707 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -69.77 -29.86 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.306 0.242 . . . . 0.78 110.394 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.8 -49.81 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 122.794 0.437 . . . . 0.97 110.876 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -70.3 -43.08 71.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.784 1.031 . . . . 0.88 113.784 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -61.6 -31.28 71.34 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.026 0.75 . . . . 0.75 113.026 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -103.93 -13.93 16.17 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.507 0.928 . . . . 1.21 113.507 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -24.65 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 118.934 0.788 . . . . 3.66 112.887 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -55.65 -39.82 71.38 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.699 0.399 . . . . 1.51 111.669 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.16 -29.47 12.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.786 0.435 . . . . 1.82 111.581 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.28 -30.72 64.94 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.413 0.894 . . . . 0.91 113.413 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -79.34 -9.45 59.59 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 113.329 0.863 . . . . 2.05 113.329 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.73 -51.36 70.08 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.297 0.499 . . . . 1.91 111.842 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -83.17 177.39 8.58 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.341 0.256 . . . . 1.45 110.567 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.75 150.87 21.39 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 119.942 -0.366 . . . . 1.1 113.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 66.35 127.16 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.934 0.894 . . . . 3.19 111.359 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -70.54 -50.71 34.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.155 0.182 . . . . 1.24 111.309 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -87.44 68.3 9.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.837 0.351 . . . . 1.36 111.089 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -160.61 157.57 27.49 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.167 -0.47 . . . . 1.36 111.536 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.21 144.09 43.29 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.066 0.547 . . . . 0.9 109.632 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -85.47 158.97 20.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 121.927 0.091 . . . . 1.1 110.765 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -70.38 -35.07 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 112.491 0.552 . . . . 0.81 112.491 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -87.42 -25.07 23.97 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 111.988 0.366 . . . . 0.95 111.988 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -79.75 -42.83 23.72 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.76 0.652 . . . . 1.61 112.76 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -30.43 71.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 117.872 0.306 . . . . 0.78 110.74 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -69.94 -39.1 76.28 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.953 0.501 . . . . 0.9 110.81 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.86 -35.5 74.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.733 0.413 . . . . 0.69 111.392 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.58 -35.44 79.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.641 0.377 . . . . 0.88 111.253 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.26 -26.41 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 C-N-CA 123.037 0.535 . . . . 0.62 111.385 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -109.17 36.29 2.96 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.709 0.403 . . . . 0.83 111.621 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -159.57 -54.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 111.918 0.34 . . . . 1.3 111.918 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -114.65 -3.07 12.92 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 113.238 0.829 . . . . 0.84 113.238 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tp -144.19 50.69 1.31 Allowed Pre-proline 0 CA--C 1.563 1.456 0 CA-C-N 118.538 0.608 . . . . 0.88 111.833 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -88.09 -39.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.309 2.006 . . . . 0.52 115.679 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -70.14 -32.14 69.99 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.825 0.676 . . . . 0.95 112.825 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.4 -58.78 5.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.443 0.297 . . . . 1.22 111.603 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -86.48 116.78 24.84 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.321 -0.622 . . . . 0.84 109.321 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.63 -40.32 52.82 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.763 1.023 . . . . 1.78 113.763 -178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -110.23 118.97 37.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 117.821 0.282 . . . . 1.94 110.306 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.9 m -104.38 -31.51 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 112.28 0.474 . . . . 0.7 112.28 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.36 -41.92 11.06 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.795 -0.447 . . . . 0.67 113.196 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -94.17 87.87 5.42 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.963 0.381 . . . . 1.26 111.485 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.14 32.84 5.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.953 0.501 . . . . 1.59 110.644 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.5 -37.83 22.58 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.175 0.19 . . . . 0.73 111.276 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.24 -33.33 75.73 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.514 0.326 . . . . 1.1 111.277 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -84.16 -43.63 14.78 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.866 0.467 . . . . 1.93 111.718 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.5 ttp -55.98 -45.67 78.91 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 112.606 0.595 . . . . 1.04 112.606 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -66.03 -33.36 75.63 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.478 0.311 . . . . 3.0 111.191 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -74.88 -29.6 61.05 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.77 0.428 . . . . 1.0 110.909 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.63 -63.7 1.19 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.869 0.468 . . . . 0.97 111.275 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.07 85.26 6.33 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.941 0.4 . . . . 1.32 110.47 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.48 -34.55 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 115.835 -0.62 . . . . 0.83 111.96 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.75 -24.98 61.86 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.317 0.488 . . . . 1.65 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 64.91 82.62 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.994 0.918 . . . . 2.44 112.19 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -146.9 15.66 1.21 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.218 -0.901 . . . . 1.3 111.859 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t 76.57 -50.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.233 1.013 . . . . 1.67 112.568 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -78.0 127.6 32.59 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.801 0.44 . . . . 2.4 111.088 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -92.07 88.44 6.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.337 0.255 . . . . 1.43 110.371 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -61.32 159.32 12.62 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.913 0.485 . . . . 2.2 110.474 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.11 -27.62 68.87 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.493 0.588 . . . . 1.47 111.727 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -69.92 -20.3 63.36 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 110.099 -0.334 . . . . 1.32 110.099 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -102.78 -26.8 13.02 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.023 0.929 . . . . 0.93 111.346 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -83.1 -5.88 59.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.124 0.787 . . . . 0.75 113.124 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -15.96 60.07 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.878 0.763 . . . . 1.87 112.641 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 mmm-85 -65.8 -32.83 74.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.589 0.356 . . . . 2.72 110.866 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 tp -83.6 -35.43 24.68 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 119.481 -0.295 . . . . 0.62 110.976 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.2 mm -55.27 -35.47 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 109.89 -0.411 . . . . 1.18 109.89 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.56 -35.9 39.85 Favored Glycine 0 C--N 1.355 1.603 0 N-CA-C 111.803 -0.519 . . . . 0.44 111.803 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.96 -33.54 75.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.929 0.492 . . . . 0.91 110.685 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.36 -50.6 64.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.037 0.535 . . . . 0.89 110.213 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.94 66.39 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.462 0.542 . . . . 1.12 112.462 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 -37.09 20.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.771 0.429 . . . . 1.54 111.815 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.3 -2.47 49.17 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.71 1.004 . . . . 1.68 113.71 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.87 -41.47 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.48 0.582 . . . . 0.92 110.754 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -36.41 7.61 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.229 0.455 . . . . 2.09 112.229 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -129.71 76.71 1.74 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.698 0.629 . . . . 1.96 112.698 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -95.32 -40.3 9.6 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.397 -0.594 . . . . 2.66 109.397 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -134.7 52.32 2.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.95 0.9 . . . . 1.65 108.654 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.6 -35.82 14.37 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.193 1.182 . . . . 1.72 114.193 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -73.97 -42.5 60.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.603 0.223 . . . . 1.56 111.603 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -75.69 -52.07 11.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.515 0.326 . . . . 1.86 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.7 pt -133.17 134.23 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.181 0.592 . . . . 1.25 110.728 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -135.8 43.15 2.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.569 0.348 . . . . 2.97 111.425 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.75 87.71 0.68 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.106 0.479 . . . . 2.3 111.783 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.1 tttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.172 -0.918 . . . . 2.1 110.325 179.186 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 113.143 0.794 . . . . 3.15 113.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.72 154.09 32.27 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 122.854 0.462 . . . . 1.19 111.391 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.28 27.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.315 -0.402 . . . . 1.01 111.213 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.77 142.45 25.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 123.017 0.527 . . . . 1.02 110.631 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.24 131.31 35.86 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.797 2.332 . . . . 0.95 113.69 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.0 mt -126.22 -157.8 0.82 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.185 0.594 . . . . 1.29 109.911 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -56.33 161.82 2.37 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.044 0.538 . . . . 1.34 111.539 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -48.19 -45.02 33.23 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 113.422 0.897 . . . . 1.42 113.422 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.9 -37.15 56.0 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 111.525 0.194 . . . . 0.77 111.525 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.18 -25.5 62.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.233 0.213 . . . . 1.03 110.731 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -83.99 -22.04 31.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.026 0.53 . . . . 0.81 111.524 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.8 m -56.84 -47.01 81.32 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 117.773 0.26 . . . . 1.04 110.796 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.33 -26.27 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.235 0.214 . . . . 1.07 111.041 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.03 -36.01 74.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.4 0.68 . . . . 1.0 112.123 179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -55.84 -39.73 71.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.83 0.452 . . . . 1.16 112.201 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.93 -30.49 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.647 -0.131 . . . . 0.64 110.647 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.65 -6.32 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 122.995 0.518 . . . . 0.95 111.594 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -111.62 -22.05 11.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.157 0.799 . . . . 0.93 113.157 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -91.19 -57.79 2.67 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.86 0.689 . . . . 0.76 112.86 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -83.42 -12.09 56.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.534 0.938 . . . . 1.1 113.534 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.57 -18.8 64.41 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 118.522 0.601 . . . . 3.79 112.564 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -67.73 -32.34 72.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.665 0.386 . . . . 1.74 110.537 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -98.92 -33.16 10.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.169 0.588 . . . . 1.82 111.514 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.11 72.97 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.038 0.755 . . . . 1.0 113.038 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -73.08 -17.5 61.41 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.971 0.73 . . . . 1.8 112.971 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -56.35 -37.84 70.56 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.264 0.626 . . . . 2.01 112.104 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -131.7 129.66 40.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.767 0.427 . . . . 1.59 111.441 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.95 95.37 0.04 OUTLIER Glycine 0 C--N 1.355 1.639 0 CA-C-O 119.741 -0.477 . . . . 1.2 114.169 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.94 -178.11 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.492 0.717 . . . . 3.16 112.419 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -99.18 -33.07 10.91 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.948 0.499 . . . . 1.46 111.549 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.87 44.3 1.23 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.553 0.341 . . . . 1.43 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.9 t -147.56 139.67 24.32 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.826 0.306 . . . . 1.33 111.826 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -85.49 156.32 20.84 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.023 0.529 . . . . 0.88 110.343 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -93.95 156.01 16.84 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.348 0.259 . . . . 0.99 110.464 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.92 -24.18 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 112.427 0.528 . . . . 0.73 112.427 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -98.67 -26.92 14.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.959 0.355 . . . . 0.92 111.959 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -40.28 42.03 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.04 0.385 . . . . 1.54 112.04 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -34.67 76.83 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.88 0.309 . . . . 0.79 111.12 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -66.45 -38.09 86.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.873 0.469 . . . . 0.97 111.633 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.56 -31.06 70.87 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.292 0.37 . . . . 0.73 111.542 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 tp -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 0.84 111.39 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -73.85 -27.91 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 122.818 0.447 . . . . 0.61 110.917 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -104.34 33.22 3.61 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.537 0.335 . . . . 0.8 111.859 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.35 -61.88 0.07 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.327 0.492 . . . . 1.41 112.327 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -102.1 -5.52 24.39 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.252 0.834 . . . . 0.97 113.252 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.9 51.85 2.33 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 122.609 0.364 . . . . 0.85 111.41 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.09 -40.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.128 1.886 . . . . 0.52 115.104 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -68.46 -31.29 70.48 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.663 0.616 . . . . 0.98 112.663 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 tp -65.62 -63.02 1.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 119.64 -0.219 . . . . 1.12 110.732 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.96 97.07 10.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.032 -0.729 . . . . 0.94 109.032 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -50.02 -33.79 19.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 113.307 0.855 . . . . 1.91 113.307 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.66 88.2 5.76 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.884 -0.413 . . . . 2.08 109.884 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.88 -27.34 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.28 0.474 . . . . 0.75 112.28 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.52 7.44 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-O 119.677 -0.513 . . . . 0.83 114.334 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.46 58.6 1.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.393 0.516 . . . . 1.26 112.393 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 63.47 4.48 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.149 0.5 . . . . 1.59 109.73 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.82 -38.62 4.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.848 -0.615 . . . . 0.77 111.506 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.77 -42.4 97.79 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.21 -0.292 . . . . 1.09 110.21 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.14 -42.15 76.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.905 -0.406 . . . . 1.92 109.905 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttp -56.16 -44.09 78.97 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.296 0.638 . . . . 1.09 111.566 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -36.0 78.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.736 0.414 . . . . 3.13 111.172 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -71.63 -34.42 69.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.224 0.61 . . . . 1.0 111.85 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.65 -64.33 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.227 0.211 . . . . 0.96 111.061 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.77 75.92 7.69 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.175 0.512 . . . . 1.39 110.128 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.93 -20.7 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 115.567 -0.742 . . . . 0.82 112.212 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -82.9 -25.7 32.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.696 0.399 . . . . 1.74 111.89 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 63.54 62.15 0.96 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.822 0.849 . . . . 2.45 111.515 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.41 15.11 6.09 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.559 -0.746 . . . . 1.41 111.412 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m 59.25 29.83 19.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 1.61 111.681 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -142.34 127.98 19.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.775 0.43 . . . . 2.42 111.008 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp -106.04 74.12 1.03 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.685 0.394 . . . . 1.23 110.326 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.49 162.96 22.08 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.057 -0.72 . . . . 2.35 109.057 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -24.99 33.88 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.402 0.89 . . . . 1.43 113.402 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.09 -33.57 67.98 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.287 0.494 . . . . 1.24 110.366 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.11 -43.6 11.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.216 0.606 . . . . 1.03 110.306 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.18 -20.21 66.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.615 0.766 . . . . 0.79 111.419 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -55.85 -25.36 41.71 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.608 0.763 . . . . 1.98 111.688 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -64.64 -34.09 77.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.395 0.278 . . . . 2.48 110.495 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.23 -32.65 49.9 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 109.826 -0.435 . . . . 0.59 109.826 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.29 -32.11 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.036 0.534 . . . . 0.91 111.121 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.64 84.6 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.293 -0.723 . . . . 0.49 111.293 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -73.84 -24.75 59.82 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.359 0.264 . . . . 0.86 110.396 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.98 -50.09 73.48 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.191 0.596 . . . . 0.95 110.849 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.98 -21.34 37.2 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.292 0.478 . . . . 1.12 112.292 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -79.99 -34.67 38.38 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.9 0.48 . . . . 1.46 111.756 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -88.53 13.72 11.4 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.101 0.778 . . . . 1.65 113.101 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.07 -46.72 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.547 0.612 . . . . 0.93 110.553 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.13 -38.17 8.25 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 119.255 -0.403 . . . . 2.16 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -116.92 61.42 0.73 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 121.001 0.429 . . . . 1.87 112.088 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -60.81 -34.94 75.29 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.769 -0.456 . . . . 2.47 109.769 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -160.72 69.6 0.37 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 108.156 -1.053 . . . . 1.83 108.156 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.05 -30.62 36.89 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.964 1.098 . . . . 1.81 113.964 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.08 -39.11 89.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 111.852 0.316 . . . . 1.45 111.852 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -89.41 -49.99 6.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.666 0.386 . . . . 2.03 111.081 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.66 125.44 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.082 0.553 . . . . 1.24 110.537 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -128.02 27.48 5.67 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.094 0.776 . . . . 2.8 113.094 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -161.76 97.21 1.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.849 0.357 . . . . 2.08 111.38 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.8 tttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 116.25 -0.432 . . . . 1.94 110.775 179.134 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 111.726 0.269 . . . . 2.04 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 121.57 43.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 122.957 0.503 . . . . 0.9 110.706 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.45 114.55 8.67 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.1 0.407 . . . . 1.0 112.1 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.4 138.63 19.78 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-O 119.037 -0.506 . . . . 1.1 110.37 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.23 133.78 60.14 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.937 2.425 . . . . 1.08 113.213 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -132.12 -146.91 0.3 Allowed 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 119.034 -0.507 . . . . 1.32 110.273 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -60.54 160.32 9.17 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.977 0.808 . . . . 1.51 111.299 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.34 -40.68 12.22 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.82 1.044 . . . . 1.51 113.82 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -77.3 -45.65 25.56 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.004 0.365 . . . . 0.84 111.445 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.75 -31.62 72.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.768 0.427 . . . . 0.95 111.085 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -73.5 -25.22 60.35 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.373 0.669 . . . . 0.85 111.391 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -60.2 -55.67 30.97 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.74 0.416 . . . . 1.04 111.021 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.08 -25.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 123.181 0.301 . . . . 1.1 111.285 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -67.41 -35.0 78.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.553 0.741 . . . . 1.0 111.397 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 59.7 m -62.41 -33.91 75.7 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.75 0.42 . . . . 1.34 111.669 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.28 -26.39 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.637 0.375 . . . . 0.78 111.48 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.27 12.03 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 122.743 0.417 . . . . 0.97 111.659 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -126.06 -45.45 1.71 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.168 0.587 . . . . 0.88 111.66 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -65.51 -43.51 89.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.645 0.378 . . . . 0.75 111.945 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.13 41.32 2.13 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.848 0.356 . . . . 1.21 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -97.14 -32.44 11.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.702 0.401 . . . . 3.66 111.07 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.1 m -66.41 -37.29 84.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.981 0.513 . . . . 1.51 111.811 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -82.52 -29.04 30.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 111.921 0.341 . . . . 1.82 111.921 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.64 77.46 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.345 0.498 . . . . 0.91 112.345 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -73.92 -22.13 59.8 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.805 1.039 . . . . 2.05 113.805 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -63.96 -27.5 69.18 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.38 0.881 . . . . 1.91 113.38 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -131.68 99.78 4.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.112 0.415 . . . . 1.45 111.766 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 109.85 0.2 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 114.373 0.509 . . . . 1.1 114.373 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.49 -176.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.706 1.002 . . . . 3.19 113.706 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -97.8 -52.91 3.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.992 0.517 . . . . 1.24 111.801 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.7 44.7 1.11 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.901 0.334 . . . . 1.36 111.901 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 91.1 p -147.38 127.36 13.63 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.407 0.283 . . . . 1.36 110.977 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -82.07 166.78 19.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.06 -0.518 . . . . 0.9 111.256 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -97.44 162.33 13.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.08 -0.341 . . . . 1.1 110.08 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.07 -25.95 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 112.484 0.55 . . . . 0.81 112.484 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -98.55 -27.95 13.8 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.46 0.541 . . . . 0.95 112.46 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.34 -30.31 53.84 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.685 0.624 . . . . 1.61 112.685 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -70.64 -36.78 73.61 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.283 0.492 . . . . 0.78 110.422 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -66.44 -35.43 80.27 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 122.67 0.388 . . . . 0.9 110.938 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.3 -33.78 76.51 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.243 -0.28 . . . . 0.69 110.243 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.37 -38.6 78.11 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 122.828 0.451 . . . . 0.88 110.349 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.38 -29.05 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.674 0.39 . . . . 0.62 111.47 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -102.47 25.49 8.97 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.274 0.472 . . . . 0.83 112.274 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -148.82 -58.13 0.22 Allowed 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.862 -0.524 . . . . 1.3 112.182 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -105.91 -15.49 14.9 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.281 0.845 . . . . 0.84 113.281 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 49.38 4.69 Favored Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 112.295 0.48 . . . . 0.88 112.295 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -85.94 -34.22 0.17 Allowed 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.582 2.188 . . . . 0.52 114.903 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -72.95 -31.49 64.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.599 0.592 . . . . 0.95 112.599 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.13 -56.27 8.17 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.028 0.131 . . . . 1.22 110.813 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -85.53 107.61 17.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.242 -0.651 . . . . 0.84 109.242 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -51.86 -34.92 42.9 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.007 1.114 . . . . 1.78 114.007 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -103.09 94.11 5.36 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.31 0.244 . . . . 1.94 111.543 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.82 -35.6 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 116.763 -0.199 . . . . 0.7 110.748 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.71 -45.09 5.58 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.391 0.432 . . . . 0.67 112.592 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -84.44 75.45 10.25 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 121.072 0.463 . . . . 1.26 110.594 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.39 -5.28 19.11 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.631 -0.713 . . . . 1.59 111.782 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.66 -31.86 73.1 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.905 0.705 . . . . 0.73 112.905 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.75 -37.46 86.42 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.483 0.313 . . . . 1.1 110.819 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -84.97 -47.09 10.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.525 0.33 . . . . 1.93 110.988 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -46.65 -47.07 20.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.404 0.89 . . . . 1.04 113.404 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -61.88 -35.6 78.79 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.724 0.238 . . . . 3.0 111.562 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.3 m -72.55 -28.12 62.64 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.064 0.228 . . . . 1.0 111.544 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.6 -57.86 3.81 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 110.16 -0.311 . . . . 0.97 110.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.19 84.6 7.42 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.402 0.438 . . . . 1.32 110.027 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -91.77 -28.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 115.592 -0.731 . . . . 0.83 112.099 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.74 -31.4 66.63 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.544 0.338 . . . . 1.65 111.3 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 66.9 75.1 0.32 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.909 0.884 . . . . 2.44 112.212 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -154.42 24.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.988 -0.551 . . . . 1.3 111.397 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t 54.49 38.89 30.54 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.444 0.698 . . . . 1.67 112.45 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -141.41 118.79 11.48 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.387 -0.37 . . . . 2.4 110.432 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.06 71.81 1.64 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.137 0.494 . . . . 1.43 110.292 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -66.46 158.54 29.25 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.799 -0.637 . . . . 2.2 109.594 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -51.42 -26.46 8.03 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.266 0.839 . . . . 1.47 113.266 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -75.81 -35.14 60.13 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 117.824 0.284 . . . . 1.32 110.347 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.96 -38.58 20.82 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.166 0.586 . . . . 0.93 110.432 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -73.88 -15.17 61.16 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.51 0.724 . . . . 0.75 110.933 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -53.68 -31.36 47.54 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.342 1.057 . . . . 1.87 112.848 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -65.48 -35.47 81.0 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.969 0.35 . . . . 2.72 111.408 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.42 -33.42 54.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 119.382 -0.342 . . . . 0.62 111.094 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.45 -36.29 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 110.25 -0.278 . . . . 1.18 110.25 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.99 71.8 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.98 -0.448 . . . . 0.44 111.98 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.34 -30.86 69.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.64 0.376 . . . . 0.91 110.524 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.59 -41.85 98.31 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.17 0.294 . . . . 0.89 110.363 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.84 52.23 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.089 0.774 . . . . 1.12 113.089 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -25.93 48.74 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.451 0.538 . . . . 1.54 112.451 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -96.57 13.33 28.51 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.433 0.901 . . . . 1.68 113.433 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -46.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 118.798 0.727 . . . . 0.92 111.117 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.99 -31.7 10.99 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 112.153 0.427 . . . . 2.09 112.153 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -127.34 61.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.544 0.572 . . . . 1.96 112.544 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -40.39 79.22 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 110.207 -0.294 . . . . 2.66 110.207 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -138.25 66.81 1.43 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 109.054 -0.721 . . . . 1.65 109.054 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.96 -31.07 49.44 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.488 1.292 . . . . 1.72 114.488 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 tp -77.9 -36.14 49.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.685 0.624 . . . . 1.56 112.685 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -88.61 -56.96 3.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.557 0.343 . . . . 1.86 111.215 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.02 131.14 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.207 0.603 . . . . 1.25 110.785 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -147.12 51.41 1.08 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.867 0.691 . . . . 2.97 112.867 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.27 34.24 0.28 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.244 0.461 . . . . 2.3 112.244 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.4 tttp . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.178 -0.915 . . . . 2.1 111.262 -179.408 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 112.331 0.493 . . . . 3.15 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.38 155.64 20.99 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.009 0.524 . . . . 1.19 111.492 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 135.63 37.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.267 -0.424 . . . . 1.01 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -124.03 142.04 38.66 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 122.851 0.461 . . . . 1.02 111.009 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.17 132.25 33.37 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.748 2.298 . . . . 0.95 113.15 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 mt -130.25 -135.19 0.21 Allowed 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.283 0.633 . . . . 1.29 109.505 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -62.68 164.52 7.61 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.102 0.865 . . . . 1.34 111.365 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.61 -41.5 63.73 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.026 0.75 . . . . 1.42 113.026 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.94 -38.72 64.17 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.725 0.239 . . . . 0.77 110.887 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 -29.73 64.63 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.05 0.54 . . . . 1.03 111.525 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -78.43 -21.61 48.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.824 0.449 . . . . 0.81 111.639 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -59.68 -55.58 32.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.824 0.449 . . . . 1.04 111.314 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.08 -20.96 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 111.878 0.325 . . . . 1.07 111.878 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -68.47 -31.58 70.97 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.072 0.549 . . . . 1.0 111.385 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -59.76 -39.34 84.48 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.902 0.481 . . . . 1.16 112.068 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.17 -26.89 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.201 0.2 . . . . 0.64 111.267 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.16 -13.51 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 112.427 0.529 . . . . 0.95 112.427 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.9 p -112.78 -12.15 13.39 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.265 0.839 . . . . 0.93 113.265 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -97.39 -59.78 1.71 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.357 0.526 . . . . 0.76 112.26 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -85.48 -36.39 20.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.997 0.74 . . . . 1.1 112.997 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -58.64 -23.02 58.28 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.874 0.694 . . . . 3.79 112.874 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -63.0 -31.39 72.51 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.591 0.356 . . . . 1.74 111.072 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.37 -31.89 12.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.105 0.562 . . . . 1.82 111.727 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 0.59 35.17 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.151 1.167 . . . . 1.0 114.151 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -82.5 -13.85 55.98 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 113.154 0.798 . . . . 1.8 113.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -73.48 -41.22 63.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.326 0.862 . . . . 2.01 113.326 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -99.06 111.26 23.7 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.589 0.589 . . . . 1.59 112.589 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.71 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.849 1.1 . . . . 1.2 115.849 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 61.82 156.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.618 0.97 . . . . 3.16 113.618 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.17 -34.04 22.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.871 0.468 . . . . 1.46 111.355 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -101.42 50.13 0.86 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.831 0.452 . . . . 1.43 110.265 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 t -155.77 141.05 17.58 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.278 -0.419 . . . . 1.33 111.536 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.32 149.27 21.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.388 0.675 . . . . 0.88 110.289 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -88.04 151.45 22.74 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.503 0.186 . . . . 0.99 111.503 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.4 -29.54 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 112.942 0.719 . . . . 0.73 112.942 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -96.29 -33.04 12.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.052 0.389 . . . . 0.92 112.052 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.24 -41.67 69.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.174 0.435 . . . . 1.54 112.174 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -34.83 79.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.737 0.244 . . . . 0.79 110.962 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -64.73 -41.96 95.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.02 0.528 . . . . 0.97 111.047 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.2 -27.98 64.93 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.215 0.322 . . . . 0.73 111.65 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.3 tp -67.79 -37.39 81.97 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.666 0.386 . . . . 0.84 111.271 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.02 -26.79 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.55 0.34 . . . . 0.61 111.707 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -104.65 21.99 15.86 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.416 0.524 . . . . 0.8 112.416 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -139.81 -62.42 0.52 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.307 0.503 . . . . 1.41 111.766 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -106.17 1.16 25.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.851 0.686 . . . . 0.97 112.851 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.84 45.04 0.64 Allowed Pre-proline 0 CA--C 1.562 1.415 0 N-CA-C 112.02 0.378 . . . . 0.85 112.02 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.22 -36.22 0.3 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.065 1.843 . . . . 0.52 114.377 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -72.23 -35.34 68.82 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.645 0.378 . . . . 0.98 111.949 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.46 -57.25 9.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.551 0.34 . . . . 1.12 110.747 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -102.4 95.85 6.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.589 -0.893 . . . . 0.94 108.589 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -56.49 -28.83 60.82 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.131 0.789 . . . . 1.91 113.131 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -84.61 85.68 7.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.392 0.277 . . . . 2.08 111.303 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.0 -37.35 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.186 -0.461 . . . . 0.75 110.376 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.09 -30.19 23.52 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 112.029 -0.429 . . . . 0.83 112.029 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -95.81 50.94 1.23 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.033 0.533 . . . . 1.26 110.32 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -21.16 23.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.974 0.51 . . . . 1.59 111.102 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -53.1 -34.09 55.1 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.886 0.698 . . . . 0.77 112.886 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.04 -40.46 96.35 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.162 0.185 . . . . 1.09 110.888 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -77.59 -40.71 41.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.837 0.455 . . . . 1.92 111.097 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -57.53 -38.85 75.36 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 1.09 111.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -61.99 -35.31 78.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.574 0.35 . . . . 3.13 111.762 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -75.2 -29.73 60.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.747 0.419 . . . . 1.0 111.839 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.51 -53.47 10.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.387 0.275 . . . . 0.96 111.086 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.45 78.6 4.91 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.957 0.408 . . . . 1.39 111.137 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.56 -36.91 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 115.884 -0.598 . . . . 0.82 110.796 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.12 -29.8 64.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.992 0.517 . . . . 1.74 110.977 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.34 71.54 0.53 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.307 1.043 . . . . 2.45 111.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -142.83 15.77 1.95 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.747 -0.66 . . . . 1.41 111.77 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t 60.33 28.18 17.78 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.643 0.777 . . . . 1.61 112.286 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -140.56 131.52 26.12 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.952 0.501 . . . . 2.42 110.186 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mp -108.63 86.51 2.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.546 0.202 . . . . 1.23 111.546 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -69.66 172.69 7.07 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.012 -0.736 . . . . 2.35 109.012 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -24.86 63.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.451 0.568 . . . . 1.43 111.773 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -71.77 -29.41 64.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 109.561 -0.533 . . . . 1.24 109.561 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -89.32 -42.04 11.8 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.708 0.803 . . . . 1.03 110.415 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -72.19 -11.4 60.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.528 0.731 . . . . 0.79 111.954 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -26.47 13.74 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.846 0.859 . . . . 1.98 113.082 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -68.17 -38.61 82.25 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.077 0.399 . . . . 2.48 111.497 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.83 -23.24 39.31 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 119.801 -0.142 . . . . 0.59 110.838 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.0 mm -67.1 -37.54 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.663 -0.495 . . . . 0.91 109.663 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.05 -39.29 73.73 Favored Glycine 0 C--N 1.354 1.553 0 N-CA-C 111.408 -0.677 . . . . 0.49 111.408 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.71 -16.26 61.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.575 0.35 . . . . 0.86 110.963 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.91 -52.1 58.26 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.263 0.625 . . . . 0.95 110.66 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.53 -8.63 54.47 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.358 0.503 . . . . 1.12 112.358 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.63 -37.26 19.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.413 0.285 . . . . 1.46 110.455 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -86.01 12.01 10.36 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.266 0.839 . . . . 1.65 113.266 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.51 -39.69 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 118.299 0.5 . . . . 0.93 109.904 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -101.42 -36.14 8.95 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.759 0.424 . . . . 2.16 111.781 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -130.98 75.25 1.65 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.09 0.471 . . . . 1.87 111.885 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -98.31 -53.41 3.36 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.041 -0.527 . . . . 2.47 110.049 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -113.72 51.75 0.84 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.287 -0.634 . . . . 1.83 109.287 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.11 73.94 1.74 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.441 0.639 . . . . 1.81 112.182 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -165.44 -50.99 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.525 -0.761 . . . . 1.45 110.287 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -100.7 -51.11 3.67 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.184 0.594 . . . . 2.03 110.543 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.3 pt -120.49 116.42 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.354 0.409 . . . . 1.24 110.81 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -135.71 63.64 1.59 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.898 0.38 . . . . 2.8 111.639 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -165.86 86.68 0.36 Allowed 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 116.148 -0.478 . . . . 2.08 111.804 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 115.967 -0.56 . . . . 1.94 110.274 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.05 0.389 . . . . 2.04 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 152.47 19.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.36 0.264 . . . . 0.9 111.485 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.56 121.0 27.64 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.981 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -105.13 141.13 21.93 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-O 119.071 -0.49 . . . . 1.1 110.332 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 140.9 94.73 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.078 2.519 . . . . 1.08 114.657 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.1 mt -136.23 -160.26 1.04 Allowed 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.427 0.691 . . . . 1.32 110.215 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -58.78 161.07 5.09 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 118.802 0.728 . . . . 1.51 111.384 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.42 -49.34 7.15 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.566 0.95 . . . . 1.51 113.566 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.56 -40.09 73.56 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 117.921 0.328 . . . . 0.84 111.449 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.94 -24.73 62.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.779 0.432 . . . . 0.95 111.532 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -87.18 -10.09 53.55 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.001 0.52 . . . . 0.85 112.387 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -60.51 -47.57 85.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.949 0.34 . . . . 1.04 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 pp -85.21 -21.88 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 122.33 0.252 . . . . 1.1 111.202 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -65.44 -40.04 92.8 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.232 0.613 . . . . 1.0 110.418 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -66.51 -31.67 72.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.723 0.409 . . . . 1.34 111.621 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.57 -36.29 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.359 0.264 . . . . 0.78 110.474 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -71.73 -50.75 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 122.407 0.283 . . . . 0.97 110.693 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.3 p -58.07 -37.24 74.06 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.18 1.178 . . . . 0.88 114.18 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -72.94 -31.93 64.93 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.558 0.948 . . . . 0.75 113.558 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -115.37 -3.7 12.42 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.59 1.33 . . . . 1.21 114.59 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -66.06 -36.15 82.44 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.774 1.17 . . . . 3.66 111.838 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -63.96 -35.28 80.17 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.297 0.239 . . . . 1.51 111.01 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -85.9 -25.34 26.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.79 0.436 . . . . 1.82 110.893 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.43 -20.7 62.08 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.969 0.508 . . . . 0.91 112.239 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -91.92 25.34 2.83 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.151 0.426 . . . . 2.05 112.151 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -87.07 -35.04 18.94 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.719 0.407 . . . . 1.91 110.844 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.92 -159.52 0.68 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.196 0.599 . . . . 1.45 110.35 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 145.39 46.25 Favored Glycine 0 C--N 1.358 1.776 0 CA-C-N 118.284 0.493 . . . . 1.1 114.223 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? 60.7 126.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.394 1.078 . . . . 3.19 112.534 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.34 -42.26 68.75 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.328 -0.397 . . . . 1.24 111.088 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.66 53.01 2.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.788 -0.449 . . . . 1.36 109.788 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -156.6 143.15 18.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 116.49 -0.323 . . . . 1.36 111.575 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.63 169.22 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.527 0.517 . . . . 0.9 110.387 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -105.61 159.84 15.65 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.573 0.349 . . . . 1.1 111.009 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.72 -25.51 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 N-CA-C 112.103 0.408 . . . . 0.81 112.103 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.97 -35.27 11.48 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.091 0.404 . . . . 0.95 112.091 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.83 -41.43 64.87 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.486 0.55 . . . . 1.61 112.486 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -33.12 74.88 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.928 0.331 . . . . 0.78 111.259 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -68.63 -36.79 79.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.77 0.428 . . . . 0.9 110.628 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.06 -30.77 55.71 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.667 0.387 . . . . 0.69 111.67 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.87 -34.92 79.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.668 0.387 . . . . 0.88 110.988 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.422 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 76.1 t -77.2 -25.32 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 122.914 0.485 . . . . 0.62 111.431 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 -6.72 55.28 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 113.308 0.855 . . . . 0.83 113.308 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -127.62 -51.46 1.37 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.99 0.737 . . . . 1.3 112.99 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -102.39 -8.35 21.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.146 1.165 . . . . 0.84 114.146 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.6 OUTLIER -142.29 48.32 1.07 Allowed Pre-proline 0 CA--C 1.562 1.424 0 CA-C-N 118.877 0.762 . . . . 0.88 111.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -84.53 -29.62 0.77 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.109 1.873 . . . . 0.52 114.905 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -75.22 -21.01 58.95 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.871 0.693 . . . . 0.95 112.871 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.49 -52.53 9.62 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.692 0.223 . . . . 1.22 111.052 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.6 107.45 19.9 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.916 -0.772 . . . . 0.84 108.916 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.71 66.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.332 0.864 . . . . 1.78 113.332 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -95.46 83.94 3.9 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.926 -0.398 . . . . 1.94 109.926 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -71.33 -28.92 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.177 -0.465 . . . . 0.7 112.038 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.69 -40.06 7.37 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.47 -0.628 . . . . 0.67 113.498 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -87.69 83.37 7.19 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.815 0.808 . . . . 1.26 111.215 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.1 7.51 19.69 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.612 -0.722 . . . . 1.59 110.802 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.48 -28.95 65.39 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.613 0.597 . . . . 0.73 112.613 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.21 -41.46 81.28 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.227 0.211 . . . . 1.1 111.27 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.1 -41.73 27.97 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.563 0.345 . . . . 1.93 110.945 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.1 ttp -51.88 -35.84 46.56 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.92 0.711 . . . . 1.04 112.92 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -67.57 -44.98 76.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.481 0.178 . . . . 3.0 111.481 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -72.27 -34.18 68.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.46 0.304 . . . . 1.0 111.76 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.52 -55.94 10.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.176 0.191 . . . . 0.97 110.712 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.39 57.64 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.094 0.473 . . . . 1.32 110.202 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -80.65 -29.04 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 116.097 -0.502 . . . . 0.83 111.822 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -68.29 -25.08 64.96 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.026 0.53 . . . . 1.65 111.184 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 64.53 87.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.354 1.062 . . . . 2.44 112.404 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.2 35.31 0.2 Allowed 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.943 -0.571 . . . . 1.3 111.342 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m 63.21 -74.55 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.297 1.039 . . . . 1.67 113.343 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.03 142.2 45.75 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.114 0.415 . . . . 2.4 112.014 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.94 99.68 10.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.054 -0.521 . . . . 1.43 110.766 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -67.01 175.92 2.33 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.74 -0.647 . . . . 2.2 109.295 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.35 -25.0 67.39 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.717 1.144 . . . . 1.47 111.83 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.49 -34.88 72.86 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.256 -0.646 . . . . 1.32 109.256 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.03 -39.85 22.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 0.93 109.602 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -88.66 62.17 6.37 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.811 -1.181 . . . . 0.75 107.811 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -113.46 -46.37 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.365 1.066 . . . . 1.87 110.931 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -63.47 -29.37 70.66 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.98 0.733 . . . . 2.72 112.98 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -78.68 -28.72 45.3 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.012 0.369 . . . . 0.62 111.099 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 37.4 mm -68.72 -37.46 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.783 -0.821 . . . . 1.18 108.783 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.13 -42.01 78.17 Favored Glycine 0 C--N 1.357 1.735 0 N-CA-C 111.032 -0.827 . . . . 0.44 111.032 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.29 -26.89 64.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.89 0.476 . . . . 0.91 110.634 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.58 -51.29 70.07 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.17 0.588 . . . . 0.89 110.95 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.59 -15.59 39.36 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.559 0.577 . . . . 1.12 112.559 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -79.82 -44.12 21.14 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.124 0.42 . . . . 1.54 110.79 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.65 -26.38 61.63 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.207 0.447 . . . . 1.68 112.207 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -37.94 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 122.787 0.435 . . . . 0.92 111.954 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -107.68 -40.8 5.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.433 0.531 . . . . 2.09 112.433 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -124.81 69.86 1.12 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.473 0.545 . . . . 1.96 112.473 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -82.75 -41.28 19.42 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.193 -0.458 . . . . 2.66 110.505 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -139.05 63.41 1.51 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.962 -0.755 . . . . 1.65 108.962 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.76 76.41 3.39 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.229 -0.896 . . . . 1.72 113.235 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 tp -159.9 -53.07 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.695 -0.684 . . . . 1.56 110.088 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -92.91 -44.34 8.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.135 0.574 . . . . 1.86 110.095 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 pt -126.35 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.953 0.501 . . . . 1.25 110.929 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -162.57 57.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.581 0.353 . . . . 2.97 111.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -163.02 52.04 0.17 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.144 0.424 . . . . 2.3 112.144 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 40.0 tttp . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.228 -0.892 . . . . 2.1 110.245 179.322 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptt? . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.503 0.668 . . . . 3.15 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.52 135.21 18.61 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.234 -0.893 . . . . 1.19 110.174 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 108.51 19.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.071 0.148 . . . . 1.01 110.906 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.45 139.71 21.38 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 122.817 0.447 . . . . 1.02 110.892 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 134.52 46.22 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.636 2.224 . . . . 0.95 113.276 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.7 mt -134.34 -137.32 0.17 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 118.826 -0.607 . . . . 1.29 109.761 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 167.95 2.7 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 119.277 0.944 . . . . 1.34 111.392 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.48 -44.3 68.89 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.066 0.765 . . . . 1.42 113.066 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -76.34 -36.0 58.47 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.632 0.197 . . . . 0.77 111.292 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -73.77 -30.15 62.61 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.617 0.367 . . . . 1.03 111.0 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.88 -29.21 58.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.884 0.474 . . . . 0.81 110.491 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -62.47 -50.01 73.14 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 122.548 0.339 . . . . 1.04 110.531 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -72.59 -16.69 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 112.037 0.384 . . . . 1.07 112.037 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -80.95 -42.27 21.54 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.336 0.654 . . . . 1.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -59.57 -35.5 74.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.932 0.493 . . . . 1.16 112.082 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.07 -30.13 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 110.148 -0.316 . . . . 0.64 110.148 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -78.31 -64.69 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 122.807 0.443 . . . . 0.95 111.209 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -54.17 -35.76 62.65 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 115.144 1.535 . . . . 0.93 115.144 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -67.33 -42.37 83.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 113.688 0.996 . . . . 0.76 113.688 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -106.81 -19.59 13.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.21 1.189 . . . . 1.1 114.21 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.64 -20.5 65.34 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.296 0.953 . . . . 3.79 112.556 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.7 m -64.75 -35.15 80.15 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 118.181 0.446 . . . . 1.74 110.972 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -99.08 -24.66 14.81 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.173 0.589 . . . . 1.82 112.047 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.71 -23.48 42.32 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 113.147 0.795 . . . . 1.0 113.147 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.74 -17.5 64.06 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.55 0.944 . . . . 1.8 113.55 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -28.21 66.65 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.35 0.87 . . . . 2.01 113.35 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -118.74 127.18 53.31 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.751 0.649 . . . . 1.59 112.751 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.22 95.59 0.01 OUTLIER Glycine 0 C--N 1.357 1.75 0 N-CA-C 114.704 0.642 . . . . 1.2 114.704 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 60.62 169.77 0.09 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.44 0.696 . . . . 3.16 111.875 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -83.01 -59.33 2.52 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.496 -0.32 . . . . 1.46 111.428 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.14 67.19 5.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.988 0.423 . . . . 1.43 110.952 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -159.79 131.27 6.06 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.846 -0.616 . . . . 1.33 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.91 156.59 24.7 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.33 -0.248 . . . . 0.88 110.33 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -96.78 151.47 19.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.457 -0.201 . . . . 0.99 110.457 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.62 -27.94 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 112.695 0.628 . . . . 0.73 112.695 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -96.95 -33.93 11.4 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.409 0.522 . . . . 0.92 112.409 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.1 -41.96 73.34 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.188 0.44 . . . . 1.54 112.188 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -32.98 74.64 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.539 0.154 . . . . 0.79 110.938 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.06 -37.91 81.26 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.133 0.573 . . . . 0.97 111.623 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.35 -32.53 66.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.21 0.204 . . . . 0.73 111.303 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.7 -39.92 94.48 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.839 0.455 . . . . 0.84 111.914 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.35 -27.66 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 111.994 0.368 . . . . 0.61 111.994 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -102.27 21.16 15.49 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 112.158 0.429 . . . . 0.8 112.158 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -147.65 -57.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.796 -0.565 . . . . 1.41 112.461 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.18 -12.85 18.43 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.822 0.675 . . . . 0.97 112.822 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.37 48.41 1.91 Allowed Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 118.171 0.441 . . . . 0.85 111.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.91 -29.1 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.066 1.844 . . . . 0.52 114.391 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.57 -20.71 53.62 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.665 0.617 . . . . 0.98 112.665 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -73.74 -56.3 5.16 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 117.918 0.326 . . . . 1.12 110.789 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -91.1 114.77 27.38 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.836 -0.802 . . . . 0.94 108.836 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 -34.35 67.91 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.697 0.999 . . . . 1.91 113.697 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.05 89.09 3.03 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 120.936 0.398 . . . . 2.08 110.361 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.05 -28.97 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.081 -0.508 . . . . 0.75 111.837 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.58 -57.78 4.08 Favored Glycine 0 C--N 1.351 1.379 0 O-C-N 123.213 0.32 . . . . 0.83 113.048 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -85.64 88.08 7.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.766 0.317 . . . . 1.26 111.218 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.71 3.69 21.17 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.142 -0.481 . . . . 1.59 111.462 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.19 -29.02 66.92 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 112.773 0.657 . . . . 0.77 112.773 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.82 -40.01 93.8 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.683 0.22 . . . . 1.09 110.871 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -87.81 -34.85 18.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.496 0.319 . . . . 1.92 110.751 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.6 ttp -57.67 -36.96 72.61 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.547 0.339 . . . . 1.09 111.429 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -65.81 -33.5 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 122.887 0.117 . . . . 3.13 110.709 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.0 m -75.48 -28.62 59.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.408 0.283 . . . . 1.0 110.541 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.21 -61.67 1.74 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 122.414 0.286 . . . . 0.96 110.389 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -83.9 70.86 10.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.213 0.53 . . . . 1.39 109.903 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.29 -19.34 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.427 -0.806 . . . . 0.82 111.82 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -84.87 -14.38 48.03 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.248 0.462 . . . . 1.74 112.248 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 59.11 51.53 6.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.437 0.695 . . . . 2.45 111.482 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.44 2.24 12.42 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.734 -0.666 . . . . 1.41 112.078 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 t 64.02 25.97 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.385 0.674 . . . . 1.61 111.632 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -140.52 126.9 19.96 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.092 0.557 . . . . 2.42 110.0 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mp -98.47 69.76 1.93 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.991 0.424 . . . . 1.23 110.058 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -65.65 159.17 25.47 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.849 -0.614 . . . . 2.35 109.731 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.81 -30.59 61.62 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.145 1.165 . . . . 1.43 114.145 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -70.2 -32.85 70.95 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.071 0.396 . . . . 1.24 110.183 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.3 -35.17 15.42 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.379 0.672 . . . . 1.03 110.856 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -78.99 -2.33 39.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.264 1.025 . . . . 0.79 112.537 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.23 66.54 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.564 0.579 . . . . 1.98 112.564 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -66.3 -31.9 72.99 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.002 0.364 . . . . 2.48 111.442 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.3 tp -81.69 -29.22 33.12 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 119.521 -0.275 . . . . 0.59 110.286 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.59 -38.78 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 109.396 -0.594 . . . . 0.91 109.396 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.83 88.94 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 111.551 -0.62 . . . . 0.49 111.551 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -76.76 -23.28 52.95 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 122.637 0.375 . . . . 0.86 110.657 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.06 -52.33 59.87 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.861 0.464 . . . . 0.95 110.243 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.06 -32.08 61.42 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.53 0.567 . . . . 1.12 112.53 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -75.17 -25.29 58.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.28 0.474 . . . . 1.46 112.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -99.47 33.41 2.48 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -39.86 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 122.448 0.299 . . . . 0.93 110.417 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.87 -28.06 10.85 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.244 0.461 . . . . 2.16 112.244 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -131.04 45.42 2.82 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.288 0.477 . . . . 1.87 112.288 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.02 89.53 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 122.218 -0.301 . . . . 2.47 111.611 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -127.29 67.42 1.29 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.321 -0.622 . . . . 1.83 109.321 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.99 76.52 1.69 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.175 0.512 . . . . 1.81 111.208 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -167.99 -52.25 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.885 -0.598 . . . . 1.45 110.659 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -100.27 -50.01 4.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.999 0.52 . . . . 2.03 110.806 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.2 pt -107.28 141.04 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 122.813 0.445 . . . . 1.24 111.177 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.77 38.26 0.37 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.622 0.601 . . . . 2.8 112.622 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -161.55 94.03 0.95 Allowed 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 120.878 0.371 . . . . 2.08 110.901 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 122.985 0.514 . . . . 1.94 110.741 -179.422 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 111.953 0.353 . . . . 2.04 111.953 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.94 146.92 46.13 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.12 0.568 . . . . 0.9 110.738 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.58 126.01 44.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.753 0.421 . . . . 1.0 111.135 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -118.62 145.2 36.99 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 122.965 0.506 . . . . 1.1 111.198 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -76.56 127.21 9.49 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.357 2.038 . . . . 1.08 111.393 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.3 mt -126.08 -60.37 1.28 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.723 0.409 . . . . 1.32 111.476 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -122.35 161.56 23.18 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.299 0.64 . . . . 1.51 109.862 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.44 -30.78 67.19 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.926 0.713 . . . . 1.51 112.926 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -83.55 -36.06 24.29 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 117.809 0.277 . . . . 0.84 110.997 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.46 -30.4 61.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.568 0.347 . . . . 0.95 110.976 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.41 -29.8 68.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.116 0.566 . . . . 0.85 111.234 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -59.31 -56.76 17.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.87 0.468 . . . . 1.04 111.052 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.69 -27.78 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 123.08 0.237 . . . . 1.1 111.429 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -68.4 -39.24 81.74 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.646 0.379 . . . . 1.0 111.413 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -60.06 -37.73 80.73 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.598 0.359 . . . . 1.34 111.203 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 51.4 t -75.21 -31.39 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 122.532 0.333 . . . . 0.78 110.235 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -84.29 -1.14 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.417 0 C-N-CA 123.275 0.63 . . . . 0.97 112.097 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.2 p -119.34 -40.13 2.83 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.452 0.538 . . . . 0.88 112.452 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -72.43 -52.1 17.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.431 0.53 . . . . 0.75 112.431 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -81.97 -27.29 33.29 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.808 0.669 . . . . 1.21 112.808 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.5 -22.35 66.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.27 0.471 . . . . 3.66 112.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.3 m -64.63 -29.36 70.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.645 0.378 . . . . 1.51 110.414 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -95.95 -32.67 12.5 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.286 0.634 . . . . 1.82 111.358 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -23.74 63.82 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.037 0.754 . . . . 0.91 113.037 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -66.95 -25.72 66.48 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.076 0.769 . . . . 2.05 113.076 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -48.71 -41.94 33.44 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.363 0.665 . . . . 1.91 112.436 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -91.22 177.28 6.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.721 0.408 . . . . 1.45 110.585 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.5 150.25 21.78 Favored Glycine 0 C--N 1.355 1.628 0 N-CA-C 114.488 0.555 . . . . 1.1 114.488 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 61.77 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.062 0.945 . . . . 3.19 112.217 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -80.16 -26.55 39.28 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.579 0.214 . . . . 1.24 111.579 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -96.94 41.37 1.11 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.535 0.334 . . . . 1.36 110.457 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -146.94 139.32 24.79 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.701 0.401 . . . . 1.36 111.356 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.39 131.08 44.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.812 -0.81 . . . . 0.9 108.812 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.9 152.95 34.95 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 112.444 0.535 . . . . 1.1 112.444 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.64 -22.6 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 N-CA-C 112.753 0.649 . . . . 0.81 112.753 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -98.39 -30.65 12.44 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.333 0.494 . . . . 0.95 112.333 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.26 -32.36 49.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.857 0.688 . . . . 1.61 112.857 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.44 -37.11 82.49 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.189 0.45 . . . . 0.78 111.548 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -66.54 -35.38 80.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.483 0.313 . . . . 0.9 111.185 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -72.26 -33.99 67.9 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.533 0.333 . . . . 0.69 111.054 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.47 -35.18 78.5 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.759 0.423 . . . . 0.88 110.676 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -74.76 -32.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 122.646 0.378 . . . . 0.62 111.625 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -95.46 33.59 1.58 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 122.443 0.297 . . . . 0.83 111.748 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -162.13 -53.85 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.23 0.456 . . . . 1.3 112.23 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -107.86 -17.92 13.94 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.591 0.96 . . . . 0.84 113.591 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -127.76 39.43 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 N-CA-C 112.58 0.585 . . . . 0.88 112.58 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.21 -34.06 0.92 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.187 1.925 . . . . 0.52 114.696 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.95 -34.82 66.76 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.853 0.297 . . . . 0.95 111.773 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.85 -50.8 39.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.451 0.3 . . . . 1.22 110.435 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -99.17 101.28 12.57 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.528 -0.916 . . . . 0.84 108.528 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -30.16 53.06 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 113.706 1.002 . . . . 1.78 113.706 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -100.78 91.04 4.44 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 120.525 0.203 . . . . 1.94 110.54 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.18 -38.2 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.377 -0.374 . . . . 0.7 110.426 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.59 -45.11 8.08 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 120.033 -0.315 . . . . 0.67 112.442 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.3 t -83.11 79.21 9.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.042 0.449 . . . . 1.26 110.436 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 13.15 13.56 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.628 -0.714 . . . . 1.59 110.927 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.37 -29.41 37.89 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.795 0.27 . . . . 0.73 111.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.15 -38.78 87.66 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.853 0.461 . . . . 1.1 111.028 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.69 -34.03 17.35 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 119.191 -0.433 . . . . 1.93 111.531 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 60.9 ttp -56.58 -42.17 78.21 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 112.105 0.409 . . . . 1.04 112.105 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.023 0.129 . . . . 3.0 110.75 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 48.7 m -71.08 -31.1 67.4 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.771 0.428 . . . . 1.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 45.2 mt -74.03 -57.15 4.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.75 0.42 . . . . 0.97 110.735 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.56 68.22 7.82 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.106 0.479 . . . . 1.32 110.436 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.33 -32.77 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.847 -0.615 . . . . 0.83 110.864 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -69.83 -36.1 75.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.824 0.449 . . . . 1.65 111.12 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 67.08 98.89 0.05 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.608 0.763 . . . . 2.44 111.394 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.93 -65.88 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.27 -0.423 . . . . 1.3 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -178.96 -55.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.579 0.752 . . . . 1.67 110.103 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -106.51 165.62 11.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.003 0.521 . . . . 2.4 110.119 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.09 100.71 11.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.676 0.39 . . . . 1.43 110.762 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -67.02 155.2 39.28 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.817 -0.438 . . . . 2.2 109.817 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.15 -29.31 67.33 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.246 0.461 . . . . 1.47 112.246 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.6 -23.01 63.46 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.552 0.341 . . . . 1.32 110.985 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -106.89 -8.44 16.68 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.727 0.811 . . . . 0.93 111.579 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -97.84 -12.07 22.56 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 112.725 0.639 . . . . 0.75 112.725 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -17.56 14.18 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.956 1.095 . . . . 1.87 113.956 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -67.74 -32.31 72.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.165 0.439 . . . . 2.72 111.513 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -84.98 -35.74 21.8 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.699 -0.482 . . . . 0.62 109.699 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.6 -35.68 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 109.502 -0.555 . . . . 1.18 109.502 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.57 -36.51 58.69 Favored Glycine 0 C--N 1.358 1.784 0 N-CA-C 111.461 -0.656 . . . . 0.44 111.461 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.43 -30.07 66.83 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.163 0.585 . . . . 0.91 110.917 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.1 -58.67 7.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.081 0.552 . . . . 0.89 110.786 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.35 -23.38 61.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.734 0.642 . . . . 1.12 112.734 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.79 -29.84 45.15 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.024 0.374 . . . . 1.54 110.884 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.91 29.71 2.03 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.132 0.419 . . . . 1.68 112.132 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.85 -37.87 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.264 -0.643 . . . . 0.92 109.264 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -38.73 6.02 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 122.758 0.423 . . . . 2.09 111.478 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.25 52.14 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.945 0.72 . . . . 1.96 112.945 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 122.028 -0.42 . . . . 2.66 111.081 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -145.58 63.59 1.26 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 108.866 -0.79 . . . . 1.65 108.866 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.63 88.23 0.35 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.832 -0.622 . . . . 1.72 112.672 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.3 tp -166.51 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.355 -0.839 . . . . 1.56 110.15 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -105.79 -34.09 7.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.04 0.536 . . . . 1.86 111.115 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.22 94.96 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.963 0.505 . . . . 1.25 110.488 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -110.35 16.12 21.84 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.909 0.707 . . . . 2.97 112.909 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -154.2 117.99 4.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.089 0.404 . . . . 2.3 111.811 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 tttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.217 -0.897 . . . . 2.1 110.421 179.045 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.501 2.105 0 N-CA-C 112.178 0.436 . . . . 3.15 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.06 158.84 15.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 122.939 0.495 . . . . 1.19 110.97 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.21 150.08 24.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 112.172 0.434 . . . . 1.01 112.172 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.37 145.25 28.41 Favored Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.963 0.505 . . . . 1.02 111.15 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.07 143.15 53.15 Favored 'Trans proline' 0 C--N 1.384 2.41 0 C-N-CA 122.792 2.328 . . . . 0.95 113.284 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.1 mt -142.17 -47.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.507 0.558 . . . . 1.29 112.507 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -142.93 168.46 19.65 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.881 0.473 . . . . 1.34 110.397 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -52.66 -47.02 67.42 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 112.75 0.648 . . . . 1.42 112.75 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.6 mt -77.53 -40.46 42.56 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 111.754 0.279 . . . . 0.77 111.754 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.58 -35.56 80.89 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.538 0.154 . . . . 1.03 111.067 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.6 -31.07 64.91 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.266 0.354 . . . . 0.81 111.317 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.9 m -60.31 -53.0 62.84 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.344 0.258 . . . . 1.04 111.593 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.24 -14.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 112.206 0.447 . . . . 1.07 112.206 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -34.25 20.39 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.611 0.764 . . . . 1.0 110.954 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -59.99 -32.38 70.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.606 0.362 . . . . 1.16 111.177 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.97 -27.09 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 110.189 -0.3 . . . . 0.64 110.189 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 t -81.72 -65.47 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.143 0.577 . . . . 0.95 110.556 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -56.99 -27.48 61.53 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.962 1.467 . . . . 0.93 114.962 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -77.77 -49.02 15.2 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.814 0.672 . . . . 0.76 112.814 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -97.67 -7.22 31.41 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.694 1.368 . . . . 1.1 114.694 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.16 -18.56 62.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.445 1.02 . . . . 3.79 112.426 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -63.13 -33.99 76.65 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 117.836 0.289 . . . . 1.74 110.678 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -91.62 -38.65 12.33 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.785 0.434 . . . . 1.82 110.815 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.12 -34.4 68.32 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 113.049 0.759 . . . . 1.0 113.049 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -71.71 -16.38 62.23 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.34 0.866 . . . . 1.8 113.34 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.61 -56.01 27.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.454 0.538 . . . . 2.01 112.454 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -128.59 141.49 51.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 111.723 0.268 . . . . 1.59 111.723 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.74 67.19 1.83 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-O 119.803 -0.443 . . . . 1.2 113.74 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 64.31 171.08 0.18 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.568 0.747 . . . . 3.16 111.755 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -85.26 -49.73 7.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.886 0.475 . . . . 1.46 111.226 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -76.69 -25.5 53.73 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.228 0.455 . . . . 1.43 112.228 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.2 145.44 25.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.656 0.613 . . . . 1.33 112.656 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.46 159.13 15.38 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.45 0.7 . . . . 0.88 109.744 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -86.28 157.72 19.86 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.701 -0.227 . . . . 0.99 110.745 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.09 -30.92 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 113.156 0.798 . . . . 0.73 113.156 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.39 -29.32 19.16 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 111.993 0.368 . . . . 0.92 111.993 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.94 -40.78 91.69 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.379 0.881 . . . . 1.54 113.379 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -67.31 -30.8 70.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.083 0.402 . . . . 0.79 111.37 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.78 -39.3 84.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 110.319 -0.252 . . . . 0.97 110.319 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.95 -29.6 66.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.628 0.371 . . . . 0.73 110.774 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 tp -66.15 -39.41 89.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.364 0.666 . . . . 0.84 111.522 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.71 -28.79 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 119.399 -0.334 . . . . 0.61 111.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -101.13 35.8 2.14 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.085 0.402 . . . . 0.8 111.874 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -156.83 -58.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.125 -0.36 . . . . 1.41 111.69 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -110.28 -9.15 14.66 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.967 0.729 . . . . 0.97 112.967 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -130.69 34.88 0.28 Allowed Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 112.588 0.588 . . . . 0.85 112.588 179.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 94.7 Cg_endo -76.98 -36.32 1.49 Allowed 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 122.216 1.944 . . . . 0.52 114.662 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.05 -29.99 63.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 111.857 0.317 . . . . 0.98 111.857 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.48 -52.91 18.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.515 0.326 . . . . 1.12 111.058 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.78 107.25 18.77 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.273 0.358 . . . . 0.94 110.34 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -55.78 -33.72 64.63 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.06 0.544 . . . . 1.91 112.393 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.68 79.83 8.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 109.748 -0.464 . . . . 2.08 109.748 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.37 -40.88 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.328 -0.396 . . . . 0.75 111.424 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.66 -25.07 11.09 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-O 119.634 -0.537 . . . . 0.83 113.273 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 t -90.01 67.57 7.08 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 117.597 0.699 . . . . 1.26 111.053 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.03 -7.11 33.7 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.672 -0.695 . . . . 1.59 111.239 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.88 -30.66 70.29 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.994 0.739 . . . . 0.77 112.994 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.55 -40.84 89.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.377 0.271 . . . . 1.09 110.68 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.54 -27.71 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.268 0.627 . . . . 1.92 111.47 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.4 ttp -60.25 -41.28 92.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.118 0.567 . . . . 1.09 112.292 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.66 -33.99 77.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 117.813 0.279 . . . . 3.13 111.062 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -79.13 -32.64 44.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 1.0 110.563 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.89 -54.71 12.2 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.62 0.768 . . . . 0.96 111.151 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -91.8 57.14 3.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 122.912 0.485 . . . . 1.39 110.505 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.77 -27.02 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 116.04 -0.527 . . . . 0.82 110.956 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.57 -32.17 71.89 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.913 0.485 . . . . 1.74 110.13 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 65.37 59.71 0.79 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 124.308 1.043 . . . . 2.45 112.163 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.37 -0.07 5.67 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.611 -0.722 . . . . 1.41 111.802 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t 80.03 -31.1 0.13 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.28 1.032 . . . . 1.61 112.843 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.31 111.46 23.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 122.739 0.415 . . . . 2.42 110.215 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.49 93.82 5.48 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.565 0.222 . . . . 1.23 111.02 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -70.93 167.54 18.86 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.645 -0.502 . . . . 2.35 109.645 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -30.06 70.52 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.649 0.658 . . . . 1.43 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -68.59 -36.41 78.68 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 122.738 0.415 . . . . 1.24 110.108 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -87.92 -24.91 23.47 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.823 0.449 . . . . 1.03 111.034 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -83.74 -12.05 56.31 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.906 0.882 . . . . 0.79 110.77 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -27.25 64.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.12 0.968 . . . . 1.98 112.16 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -62.86 -30.88 71.85 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.152 0.181 . . . . 2.48 111.255 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 tp -84.66 -35.26 22.74 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 119.358 -0.353 . . . . 0.59 110.762 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.96 -40.19 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 122.474 0.31 . . . . 0.91 110.394 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.41 -38.34 86.83 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.581 -0.607 . . . . 0.49 111.581 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.16 -27.44 65.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 122.753 0.421 . . . . 0.86 111.51 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.79 -59.23 5.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.819 0.448 . . . . 0.95 110.803 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.61 63.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.627 0.371 . . . . 1.12 111.483 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.53 -26.45 64.52 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.21 0.204 . . . . 1.46 110.75 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.5 34.9 3.4 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 122.75 0.42 . . . . 1.65 111.847 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.51 -41.47 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.815 -0.439 . . . . 0.93 109.815 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -35.05 5.29 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.91 0.484 . . . . 2.16 111.985 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -118.25 39.49 3.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 111.914 0.339 . . . . 1.87 111.914 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -61.1 -41.11 96.07 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 120.493 0.187 . . . . 2.47 110.926 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -136.28 57.37 1.78 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.933 -0.765 . . . . 1.83 108.933 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -70.75 78.9 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 121.492 0.663 . . . . 1.81 111.899 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -169.95 -49.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.243 -0.89 . . . . 1.45 109.801 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -91.77 -43.03 9.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.071 0.548 . . . . 2.03 110.266 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 pt -134.91 134.63 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.231 0.612 . . . . 1.24 110.3 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -150.04 44.34 0.9 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.365 0.506 . . . . 2.8 112.365 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -162.02 107.45 1.26 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.402 -0.363 . . . . 2.08 110.636 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.241 0.543 . . . . 1.94 110.499 179.727 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.552 1.053 0 N-CA-C 112.127 0.417 . . . . 2.04 112.127 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.01 130.83 50.77 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.995 0.518 . . . . 0.9 110.672 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.95 115.29 25.31 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.054 0.221 . . . . 1.0 111.414 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.62 144.28 27.85 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 122.899 0.48 . . . . 1.1 111.003 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.25 138.29 60.43 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.514 2.143 . . . . 1.08 113.514 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.8 mt -134.16 -136.58 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.223 0.609 . . . . 1.32 109.967 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -66.77 169.69 7.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 119.141 0.882 . . . . 1.51 111.079 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -51.47 -49.74 61.2 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.3 0.852 . . . . 1.51 113.3 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 79.1 mt -74.84 -34.54 62.32 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.936 0.347 . . . . 0.84 111.936 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -71.08 -35.53 71.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.425 0.29 . . . . 0.95 110.639 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.7 -24.7 53.14 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.371 0.668 . . . . 0.85 111.895 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -60.15 -54.47 45.49 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.845 0.293 . . . . 1.04 111.359 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.39 -27.82 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.324 0.249 . . . . 1.1 111.415 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.17 -38.03 81.63 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 122.911 0.484 . . . . 1.0 111.029 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 36.6 m -59.49 -31.98 69.85 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.731 0.413 . . . . 1.34 111.54 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.98 -36.56 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.72 -0.474 . . . . 0.78 109.72 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.84 -39.83 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.739 0.416 . . . . 0.97 111.086 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -71.66 -35.09 70.22 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.062 0.764 . . . . 0.88 113.062 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -76.14 -42.65 46.12 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.498 -0.287 . . . . 0.75 111.346 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.86 60.91 0.79 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 121.048 0.452 . . . . 1.21 110.919 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -119.81 -40.96 2.7 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.942 -0.572 . . . . 3.66 109.914 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -64.32 -33.3 75.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 1.51 111.605 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.67 -35.38 20.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.914 0.486 . . . . 1.82 110.912 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.15 67.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.431 0.9 . . . . 0.91 113.431 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -75.56 -17.04 60.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.363 0.875 . . . . 2.05 113.363 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.614 0.598 . . . . 1.91 112.614 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -100.62 -176.37 3.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.376 . . . . 1.45 110.68 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.92 136.2 10.24 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.171 0.428 . . . . 1.1 114.171 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 65.24 128.58 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.164 0.986 . . . . 3.19 112.017 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -63.3 -49.4 74.14 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.843 0.457 . . . . 1.24 112.214 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.63 56.1 2.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.523 0.329 . . . . 1.36 111.019 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -152.69 135.94 15.78 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.008 0.373 . . . . 1.36 112.008 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.68 146.49 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.716 -0.674 . . . . 0.9 110.301 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -89.72 161.47 16.05 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.453 0.168 . . . . 1.1 111.055 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.43 -30.82 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 112.593 0.59 . . . . 0.81 112.593 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -95.3 -34.11 12.3 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.666 0.386 . . . . 0.95 111.968 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.52 -34.68 72.58 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.851 0.686 . . . . 1.61 112.851 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -37.26 68.36 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 117.694 0.225 . . . . 0.78 111.213 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.4 -34.56 78.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.495 0.318 . . . . 0.9 111.637 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.586 0.354 . . . . 0.69 111.369 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 tp -68.47 -35.9 78.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.763 0.425 . . . . 0.88 110.76 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.06 -30.8 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.212 0.605 . . . . 0.62 111.722 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.19 20.65 13.13 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.535 0.569 . . . . 0.83 112.535 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -146.48 -64.03 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.343 0.497 . . . . 1.3 112.343 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -99.31 -12.52 20.26 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.417 0.895 . . . . 0.84 113.417 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -132.53 48.21 3.35 Favored Pre-proline 0 CA--C 1.564 1.518 0 CA-C-N 118.231 0.469 . . . . 0.88 111.922 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -83.26 -34.89 0.29 Allowed 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.479 2.12 . . . . 0.52 114.713 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -83.56 -8.07 59.4 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.005 0.743 . . . . 0.95 113.005 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.79 -54.99 4.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.257 0.48 . . . . 1.22 110.106 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.2 mt -94.44 108.71 20.63 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.283 -1.006 . . . . 0.84 108.283 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.64 -30.65 61.33 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.835 1.05 . . . . 1.78 113.835 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -104.75 83.01 1.96 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.098 -0.334 . . . . 1.94 110.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.65 -25.41 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 112.413 0.523 . . . . 0.7 112.413 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.27 -60.48 2.52 Favored Glycine 0 C--N 1.351 1.381 0 C-N-CA 121.454 -0.403 . . . . 0.67 112.656 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -82.81 80.68 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.89 0.376 . . . . 1.26 111.245 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -3.58 51.86 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.345 -0.389 . . . . 1.59 111.696 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.16 -34.45 66.19 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.566 0.58 . . . . 0.73 112.566 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.19 -36.33 82.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.057 0.143 . . . . 1.1 111.04 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -107.74 40.75 1.65 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.64 0.376 . . . . 1.93 110.293 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -131.12 -46.81 1.01 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.238 0.615 . . . . 1.04 110.531 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -67.84 -38.21 82.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.511 0.324 . . . . 3.0 110.78 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.9 m -67.44 -28.6 68.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.517 0.327 . . . . 1.0 111.875 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.39 -56.88 4.47 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.846 -0.427 . . . . 0.97 109.846 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.56 74.42 6.77 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.519 -0.549 . . . . 1.32 109.519 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 p -83.81 -18.75 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 CA-C-N 116.016 -0.538 . . . . 0.83 111.83 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -77.96 -22.26 49.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.18 0.437 . . . . 1.65 112.18 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 61.47 63.65 1.16 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.696 0.799 . . . . 2.44 111.598 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -131.6 5.74 4.35 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.311 -0.859 . . . . 1.3 111.462 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t 64.75 29.47 12.74 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 123.535 0.734 . . . . 1.67 112.287 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.27 130.65 25.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.672 0.389 . . . . 2.4 110.047 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.42 79.72 1.26 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.97 0.414 . . . . 1.43 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -70.25 174.39 5.63 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.61 -0.885 . . . . 2.2 108.61 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.4 -22.99 65.49 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.418 1.008 . . . . 1.47 111.475 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -74.12 -37.02 64.22 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.027 0.531 . . . . 1.32 110.141 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.33 -48.57 11.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.239 0.616 . . . . 0.93 109.878 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.18 -19.71 55.25 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.082 0.953 . . . . 0.75 111.229 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -36.37 -48.96 0.68 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.013 1.725 . . . . 1.87 114.309 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -62.11 -33.23 74.05 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.738 0.644 . . . . 2.72 112.738 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -73.99 -35.33 64.44 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.101 0.41 . . . . 0.62 110.397 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.38 -40.69 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.074 0.55 . . . . 1.18 110.576 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.33 -36.24 92.47 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 121.305 -0.474 . . . . 0.44 112.028 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -76.28 -24.22 54.42 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 119.243 -0.408 . . . . 0.91 111.939 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.25 -47.96 80.22 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.957 0.344 . . . . 0.89 110.537 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.57 -15.29 52.81 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.556 0.576 . . . . 1.12 112.556 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -83.8 -43.31 15.54 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.684 0.394 . . . . 1.54 111.717 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.69 -23.23 49.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.03 0.752 . . . . 1.68 113.03 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -36.46 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 118.271 0.487 . . . . 0.92 111.542 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -93.08 -40.2 10.65 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.356 0.502 . . . . 2.09 112.356 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.69 71.57 1.45 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 112.872 0.693 . . . . 1.96 112.872 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -73.5 -42.07 62.3 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.469 -0.332 . . . . 2.66 110.816 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -135.04 73.96 1.5 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.002 -0.74 . . . . 1.65 109.002 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.92 -31.2 70.73 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.735 0.643 . . . . 1.72 112.735 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 mp -74.99 -41.67 59.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.438 0.295 . . . . 1.56 111.678 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -81.94 -64.16 1.24 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.941 0.348 . . . . 1.86 111.941 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 pt -109.86 149.1 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 111.933 0.346 . . . . 1.25 111.933 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -135.93 12.56 3.37 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 113.046 0.758 . . . . 2.97 113.046 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -153.46 102.5 2.58 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.418 0.553 . . . . 2.3 111.445 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.262 -0.875 . . . . 2.1 110.252 179.459 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptm . . . . . 0 N--CA 1.499 2.025 0 N-CA-C 113.194 0.813 . . . . 3.15 113.194 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 143.24 47.33 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.101 0.41 . . . . 1.19 111.463 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.98 128.9 39.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.198 -0.455 . . . . 1.01 111.37 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -123.44 135.92 26.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 123.026 0.531 . . . . 1.02 111.194 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.06 136.42 76.52 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.623 2.215 . . . . 0.95 113.342 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -138.53 -155.39 0.59 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 123.244 0.618 . . . . 1.29 109.653 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -59.61 176.22 0.29 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 118.757 0.708 . . . . 1.34 111.957 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -57.02 -44.6 83.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.325 0.861 . . . . 1.42 113.325 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.75 -37.87 55.18 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.185 0.448 . . . . 0.77 111.035 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.43 -20.36 61.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.399 0.28 . . . . 1.03 111.622 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -87.73 -25.72 23.3 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.034 0.533 . . . . 0.81 110.716 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -58.5 -56.47 21.77 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.451 0.301 . . . . 1.04 110.97 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -70.29 -25.49 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 O-C-N 122.915 0.134 . . . . 1.07 111.1 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -70.94 -36.78 72.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 1.0 111.056 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.29 -29.52 70.83 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.436 0.294 . . . . 1.16 110.771 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.0 t -72.6 -30.26 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.03 0.532 . . . . 0.64 110.693 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 t -101.38 38.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 122.931 0.492 . . . . 0.95 110.614 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -143.23 -52.11 0.36 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.874 0.47 . . . . 0.93 111.087 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -67.06 -41.51 86.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.435 0.294 . . . . 0.76 111.301 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -109.13 37.68 2.5 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 122.43 0.292 . . . . 1.1 111.306 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -95.13 -35.03 12.05 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.038 -0.356 . . . . 3.79 110.038 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 m -71.63 -30.17 65.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.06 0.544 . . . . 1.74 111.251 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.11 -30.79 22.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.837 0.455 . . . . 1.82 111.993 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.89 -14.98 61.6 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.261 0.837 . . . . 1.0 113.261 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -93.49 11.53 28.22 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.76 1.022 . . . . 1.8 113.76 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -73.55 -40.86 63.64 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.045 0.384 . . . . 2.01 111.084 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -97.28 -171.64 2.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.988 0.515 . . . . 1.59 110.258 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.0 148.51 13.03 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 114.04 0.376 . . . . 1.2 114.04 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 66.76 137.18 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.159 0.984 . . . . 3.16 112.159 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -77.38 -35.92 54.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.103 0.561 . . . . 1.46 111.765 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -107.58 55.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.002 0.43 . . . . 1.43 110.204 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -147.95 139.96 24.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.992 -0.549 . . . . 1.33 111.059 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mp -98.68 140.6 32.66 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.81 -0.441 . . . . 0.88 109.81 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -80.22 152.45 29.11 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.164 0.186 . . . . 0.99 111.34 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.86 -32.37 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 112.327 0.491 . . . . 0.73 112.327 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -90.06 -35.11 15.66 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.556 0.342 . . . . 0.92 111.802 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.58 -40.91 73.01 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.117 0.414 . . . . 1.54 112.117 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -32.24 69.34 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.821 0.282 . . . . 0.79 110.567 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -60.31 -34.24 73.52 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.996 0.518 . . . . 0.97 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.53 -29.04 37.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.88 0.472 . . . . 0.73 111.526 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.75 -33.77 74.47 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.533 0.333 . . . . 0.84 111.746 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.9 -20.32 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 122.608 0.363 . . . . 0.61 111.085 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -91.52 -28.76 17.38 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 112.625 0.602 . . . . 0.8 112.625 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -105.15 -53.76 2.6 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.487 0.921 . . . . 1.41 113.487 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -94.68 -12.45 27.28 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.664 0.987 . . . . 0.97 113.664 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.57 42.62 0.92 Allowed Pre-proline 0 CA--C 1.566 1.574 0 CA-C-N 118.443 0.565 . . . . 0.85 112.239 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.74 -38.65 0.46 Allowed 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 122.066 1.844 . . . . 0.52 114.313 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -80.85 -16.2 54.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.627 0.603 . . . . 0.98 112.627 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.81 -67.21 0.77 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.961 -0.385 . . . . 1.12 109.961 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.77 106.33 18.44 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.212 -1.033 . . . . 0.94 108.212 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -22.75 61.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.125 0.787 . . . . 1.91 113.125 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -82.53 70.61 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.964 0.411 . . . . 2.08 110.267 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.9 -36.41 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 CA-C-N 116.168 -0.469 . . . . 0.75 112.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.23 -54.7 3.09 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.945 -0.364 . . . . 0.83 112.766 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -81.48 80.06 7.95 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.74 -0.467 . . . . 1.26 109.74 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.15 67.46 0.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.721 -0.672 . . . . 1.59 109.383 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 -42.28 1.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.305 -0.861 . . . . 0.77 111.428 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.39 -36.31 83.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.727 0.24 . . . . 1.09 110.959 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -101.5 30.42 4.28 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.502 0.321 . . . . 1.92 111.091 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.6 ttp -120.8 -48.04 2.28 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.459 -0.571 . . . . 1.09 109.459 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.81 -33.0 58.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.845 0.458 . . . . 3.13 110.792 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.9 m -63.11 -28.99 70.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.524 0.33 . . . . 1.0 111.071 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.37 -57.62 3.68 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 109.475 -0.565 . . . . 0.96 109.475 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -88.58 76.76 8.1 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.208 0.528 . . . . 1.39 110.547 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.12 -10.12 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.53 -0.759 . . . . 0.82 112.056 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.2 -19.13 27.3 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.373 0.669 . . . . 1.74 111.832 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 63.58 76.08 0.37 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 123.818 0.847 . . . . 2.45 111.771 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 22.63 1.99 Allowed 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.822 -0.626 . . . . 1.41 111.84 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 t 66.62 -61.14 0.32 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.52 1.128 . . . . 1.61 113.185 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.83 144.82 36.72 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.112 0.415 . . . . 2.42 111.076 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.25 92.24 4.64 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 123.322 0.389 . . . . 1.23 110.151 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -62.77 162.18 11.32 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.281 -0.637 . . . . 2.35 109.281 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -24.06 48.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.127 0.876 . . . . 1.43 111.887 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.06 -31.46 67.89 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 109.939 -0.393 . . . . 1.24 109.939 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.55 -45.81 12.21 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 108.948 -0.76 . . . . 1.03 108.948 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.73 -20.63 63.72 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.678 0.791 . . . . 0.79 111.143 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -43.66 -44.63 6.51 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.775 1.63 . . . . 1.98 112.68 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -62.81 -31.15 72.07 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.003 0.742 . . . . 2.48 113.003 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.7 -33.12 41.26 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 119.489 -0.291 . . . . 0.59 111.336 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.87 -33.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 110.2 -0.296 . . . . 0.91 110.2 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.5 95.33 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.952 -0.459 . . . . 0.49 111.952 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.16 -26.77 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.873 0.469 . . . . 0.86 111.409 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.5 -54.27 48.55 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.602 0.361 . . . . 0.95 111.056 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.64 -21.69 41.21 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.214 0.82 . . . . 1.12 113.214 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -80.54 -36.6 32.85 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.047 0.385 . . . . 1.46 111.012 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -95.55 33.45 1.62 Allowed 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 112.049 0.388 . . . . 1.65 112.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.66 -43.33 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.531 0.333 . . . . 0.93 110.238 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -37.68 7.69 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 112.225 0.454 . . . . 2.16 112.225 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -124.56 58.0 1.23 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 111.958 0.355 . . . . 1.87 111.958 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -33.69 76.5 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 110.224 -0.287 . . . . 2.47 110.224 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -142.53 77.32 1.57 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.043 -1.095 . . . . 1.83 108.043 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.5 -33.73 70.14 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.224 0.824 . . . . 1.81 113.224 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -73.24 -26.95 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.665 0.616 . . . . 1.45 112.665 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -102.7 -57.62 2.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.412 0.285 . . . . 2.03 111.426 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.3 pt -113.71 124.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.0 0.52 . . . . 1.24 111.605 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -143.08 42.41 1.54 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.297 -0.41 . . . . 2.8 111.334 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -158.16 89.0 0.97 Allowed 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.813 0.339 . . . . 2.08 111.537 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.4 mttp . . . . . 0 N--CA 1.475 0.803 0 CA-C-N 116.182 -0.463 . . . . 1.94 110.657 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptt? . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 112.157 0.429 . . . . 2.04 112.157 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.31 141.83 35.24 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 122.69 0.396 . . . . 0.9 111.487 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.39 121.61 28.35 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.763 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -124.85 143.71 44.61 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.824 0.45 . . . . 1.1 111.265 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.88 147.92 49.11 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.459 2.772 . . . . 1.08 114.385 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 mt -141.79 -60.46 0.47 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.564 0.346 . . . . 1.32 111.931 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -142.69 173.43 11.54 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.137 0.575 . . . . 1.51 110.437 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -49.03 -53.97 17.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.83 1.048 . . . . 1.51 113.83 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.67 -33.74 35.29 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.35 0.5 . . . . 0.84 112.35 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.98 -26.62 64.17 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.833 0.288 . . . . 0.95 111.322 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.2 -32.02 30.06 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.186 0.594 . . . . 0.85 111.216 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -55.66 -60.44 3.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.61 0.364 . . . . 1.04 111.209 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.74 -26.85 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 111.939 0.348 . . . . 1.1 111.939 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.31 -36.18 66.2 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.098 0.559 . . . . 1.0 111.634 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 84.8 m -57.55 -31.64 66.3 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.724 0.41 . . . . 1.34 112.085 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.66 -28.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.216 0.206 . . . . 0.78 110.702 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -94.02 33.01 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.526 0 C-N-CA 122.744 0.417 . . . . 0.97 110.893 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -148.45 -45.28 0.15 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.005 0.522 . . . . 0.88 112.164 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -64.11 -66.26 0.57 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.254 0.464 . . . . 0.75 112.254 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.49 -8.72 49.67 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.486 0.55 . . . . 1.21 112.486 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -75.94 -8.9 58.02 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.521 0.601 . . . . 3.66 112.513 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 m -70.73 -34.57 72.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.3 -0.63 . . . . 1.51 109.3 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -89.61 -30.92 17.82 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.514 0.726 . . . . 1.82 110.902 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.42 69.18 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.14 0.793 . . . . 0.91 113.14 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -83.7 8.14 15.44 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.651 0.611 . . . . 2.05 112.651 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -78.8 -35.2 44.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.705 0.402 . . . . 1.91 110.782 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.9 -168.81 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.965 0.506 . . . . 1.45 110.254 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.75 135.45 25.04 Favored Glycine 0 C--N 1.36 1.878 0 N-CA-C 114.335 0.494 . . . . 1.1 114.335 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? 63.12 131.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.125 0.97 . . . . 3.19 112.173 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -71.48 -38.29 71.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.966 -0.561 . . . . 1.24 111.631 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -98.7 53.98 1.02 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.013 0.525 . . . . 1.36 109.908 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.5 t -159.54 142.04 13.74 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.235 -0.439 . . . . 1.36 112.129 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.32 153.34 18.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.892 0.477 . . . . 0.9 109.934 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -86.18 159.46 19.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.338 0.255 . . . . 1.1 110.605 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.77 -26.01 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 112.786 0.661 . . . . 0.81 112.786 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -95.13 -32.24 13.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.651 0.38 . . . . 0.95 111.49 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.06 -43.9 77.55 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.761 0.652 . . . . 1.61 112.761 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.28 -34.97 78.83 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 111.919 0.34 . . . . 0.78 111.919 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.74 -36.17 73.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 119.708 -0.187 . . . . 0.9 111.049 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.27 -34.74 75.22 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.393 0.277 . . . . 0.69 110.563 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.8 -37.02 85.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.679 0.392 . . . . 0.88 110.85 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -77.11 -28.27 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 123.221 0.326 . . . . 0.62 111.767 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -102.99 23.52 12.15 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.643 0.609 . . . . 0.83 112.643 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -146.18 -56.35 0.28 Allowed 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.982 -0.449 . . . . 1.3 112.087 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -107.34 -8.58 16.29 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.177 0.806 . . . . 0.84 113.177 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 47.04 1.55 Allowed Pre-proline 0 CA--C 1.562 1.414 0 CA-C-N 118.409 0.55 . . . . 0.88 111.681 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.34 -36.25 0.7 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.665 2.243 . . . . 0.52 114.475 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -66.66 -40.22 88.53 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.244 0.461 . . . . 0.95 112.244 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -63.11 1.36 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.261 0.351 . . . . 1.22 111.074 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.4 86.4 5.66 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.298 -0.631 . . . . 0.84 109.298 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -49.85 -38.55 35.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.978 0.733 . . . . 1.78 112.978 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.31 72.43 10.71 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.931 0.396 . . . . 1.94 110.74 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -69.05 -33.43 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 116.421 -0.354 . . . . 0.7 111.745 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.79 -44.52 19.7 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.999 -0.44 . . . . 0.67 111.999 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -86.22 82.23 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.24 -0.652 . . . . 1.26 109.24 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.59 4.74 13.21 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.454 -0.793 . . . . 1.59 111.957 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.15 -31.17 64.09 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.373 0.508 . . . . 0.73 112.373 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.3 -41.51 93.59 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.235 0.214 . . . . 1.1 110.812 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.68 -38.38 25.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 119.469 -0.301 . . . . 1.93 110.459 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 57.6 ttp -52.88 -40.99 63.92 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.728 0.411 . . . . 1.04 111.631 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -71.23 -39.59 71.6 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.373 0.269 . . . . 3.0 111.124 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -66.91 -35.84 80.91 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.51 0.324 . . . . 1.0 111.156 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.61 -57.03 5.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.769 0.428 . . . . 0.97 110.295 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -85.97 76.15 9.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.123 0.487 . . . . 1.32 109.967 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 p -94.92 -29.09 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 115.566 -0.743 . . . . 0.83 111.831 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.47 -18.48 41.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.526 0.331 . . . . 1.65 111.843 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.57 70.95 0.54 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 123.905 0.882 . . . . 2.44 111.92 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -134.87 7.99 3.5 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 115.798 -0.637 . . . . 1.3 112.061 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 59.4 28.17 17.47 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 123.635 0.774 . . . . 1.67 112.153 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -143.73 134.5 25.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 122.88 0.472 . . . . 2.4 110.405 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.28 81.67 1.48 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.651 0.263 . . . . 1.43 111.628 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -70.31 161.23 30.78 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.214 -1.032 . . . . 2.2 108.214 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -28.09 55.06 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.192 0.906 . . . . 1.47 112.503 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.2 -34.41 78.3 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.119 0.418 . . . . 1.32 110.109 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.39 -34.95 14.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.424 0.69 . . . . 0.93 110.723 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -72.84 -16.21 61.6 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.721 0.809 . . . . 0.75 112.328 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -26.64 56.48 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.207 0.603 . . . . 1.87 111.688 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -61.29 -35.53 77.58 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 117.733 0.242 . . . . 2.72 111.208 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -79.33 -31.77 43.17 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.663 0.385 . . . . 0.62 111.048 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.25 -38.77 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 122.644 0.377 . . . . 1.18 110.711 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.77 -44.51 92.1 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 112.135 -0.386 . . . . 0.44 112.135 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.36 -26.19 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.249 0.219 . . . . 0.91 110.796 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.08 -50.29 62.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.15 0.58 . . . . 0.89 110.263 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -6.66 58.35 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.464 0.913 . . . . 1.12 113.464 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -98.47 -42.47 7.3 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.227 0.467 . . . . 1.54 110.905 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.12 -12.28 59.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.828 0.677 . . . . 1.68 112.828 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.94 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 118.309 0.504 . . . . 0.92 111.169 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -86.74 -41.95 13.73 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.898 0.479 . . . . 2.09 111.826 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -138.11 85.2 2.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 121.304 0.573 . . . . 1.96 112.302 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -36.72 37.94 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.147 -0.479 . . . . 2.66 109.759 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -116.21 73.01 0.83 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.433 -0.951 . . . . 1.65 108.433 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.19 65.48 1.17 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.013 0.435 . . . . 1.72 112.058 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -176.54 -43.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.433 0.693 . . . . 1.56 110.985 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -93.24 -50.86 5.28 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 122.948 0.499 . . . . 1.86 111.13 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.05 131.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 122.683 0.393 . . . . 1.25 111.454 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -145.03 25.09 1.43 Allowed 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.13 0.789 . . . . 2.97 113.13 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -135.87 65.26 1.54 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.488 0.661 . . . . 2.3 111.153 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.323 -0.846 . . . . 2.1 110.495 179.572 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 121.025 0.441 . . . . 3.15 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 136.52 11.78 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.899 -0.591 . . . . 1.19 110.748 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.6 124.0 40.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.721 0.267 . . . . 1.01 111.721 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -134.68 134.53 22.25 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.56 0.744 . . . . 1.02 109.987 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.74 147.86 25.07 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.381 2.054 . . . . 0.95 113.226 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.62 -75.01 0.36 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.758 0.423 . . . . 1.29 110.794 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -104.1 165.96 10.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.285 0.634 . . . . 1.34 109.795 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -55.62 -50.2 70.81 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.236 0.458 . . . . 1.42 112.236 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.8 -35.23 79.6 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 119.705 -0.188 . . . . 0.77 111.494 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.42 -38.61 74.62 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 110.09 -0.337 . . . . 1.03 110.09 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.98 -30.43 70.55 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.891 0.476 . . . . 0.81 111.065 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -64.41 -43.97 92.73 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.386 0.274 . . . . 1.04 110.606 178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -85.49 -12.33 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 112.22 0.452 . . . . 1.07 112.22 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -88.47 -41.47 12.74 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.185 0.594 . . . . 1.0 110.749 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -62.93 -29.17 70.58 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.953 0.353 . . . . 1.16 111.953 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -65.51 -28.58 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 109.913 -0.403 . . . . 0.64 109.913 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.43 -64.46 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 122.826 0.45 . . . . 0.95 110.713 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.5 p -52.41 -39.32 60.78 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.985 1.476 . . . . 0.93 114.985 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -66.53 -34.32 77.66 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.752 1.019 . . . . 0.76 113.752 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.76 -19.39 12.46 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.118 1.155 . . . . 1.1 114.118 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.84 -13.31 60.55 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.321 0.964 . . . . 3.79 113.444 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -70.87 -29.93 66.17 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.324 0.511 . . . . 1.74 109.641 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -98.12 -29.5 13.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.467 0.707 . . . . 1.82 111.472 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.29 62.68 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 112.937 0.718 . . . . 1.0 112.937 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.33 -20.89 63.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.986 0.736 . . . . 1.8 112.986 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -52.72 -43.43 65.67 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.818 0.847 . . . . 2.01 112.495 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.09 -179.49 7.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.482 0.313 . . . . 1.59 111.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.39 142.05 5.4 Favored Glycine 0 C--N 1.361 1.961 0 N-CA-C 115.017 0.767 . . . . 1.2 115.017 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 67.02 145.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.598 1.159 . . . . 3.16 111.981 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -87.82 -14.09 40.46 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 112.687 0.625 . . . . 1.46 112.687 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.22 59.09 1.09 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.692 0.397 . . . . 1.43 110.626 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -156.88 149.14 23.1 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.534 0.568 . . . . 1.33 112.534 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.63 149.09 23.71 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.717 -0.674 . . . . 0.88 109.32 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -84.26 154.19 23.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.317 0.247 . . . . 0.99 111.499 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -75.14 -32.95 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 112.41 0.522 . . . . 0.73 112.41 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -83.33 -43.71 15.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.433 0.293 . . . . 0.92 111.313 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.42 -26.98 66.69 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 111.965 0.357 . . . . 1.54 111.965 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.04 -42.0 81.24 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.744 0.418 . . . . 0.79 110.643 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.91 -31.39 72.6 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.663 0.385 . . . . 0.97 111.65 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -84.56 -33.67 23.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.798 0.439 . . . . 0.73 111.59 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.47 -38.64 91.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.67 0.213 . . . . 0.84 111.351 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.94 -29.59 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 122.584 0.354 . . . . 0.61 111.61 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -110.8 48.2 0.93 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 121.03 0.443 . . . . 0.8 111.793 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -166.28 -52.38 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.87 0.468 . . . . 1.41 110.792 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -113.02 -3.23 14.05 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 112.711 0.634 . . . . 0.97 112.711 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.55 40.32 0.38 Allowed Pre-proline 0 CA--C 1.566 1.578 0 N-CA-C 112.095 0.406 . . . . 0.85 112.095 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.4 -40.34 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 121.906 1.738 . . . . 0.52 114.505 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.19 -38.05 69.16 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.912 0.338 . . . . 0.98 111.912 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.74 -59.45 5.15 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.829 0.451 . . . . 1.12 110.57 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.25 99.18 10.11 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.512 -0.922 . . . . 0.94 108.512 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -57.6 -28.59 63.78 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 111.915 0.339 . . . . 1.91 111.915 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -78.01 80.29 4.45 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 122.85 0.46 . . . . 2.08 110.5 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -96.16 -35.76 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 116.066 -0.515 . . . . 0.75 112.298 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -50.59 7.16 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 119.755 -0.469 . . . . 0.83 113.283 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -84.66 88.47 7.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.213 0.506 . . . . 1.26 110.617 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.94 45.01 0.98 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.286 -0.416 . . . . 1.59 110.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -114.97 -43.26 3.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.852 0.461 . . . . 0.77 111.661 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.89 -37.08 86.45 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 117.832 0.287 . . . . 1.09 110.558 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -47.31 37.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 110.09 -0.337 . . . . 1.92 110.09 177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttt -59.52 -39.04 82.58 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.074 0.768 . . . . 1.09 113.074 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -67.55 -43.73 79.96 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 111.965 0.357 . . . . 3.13 111.965 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.044 0.387 . . . . 1.0 112.044 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.7 mt -74.37 -58.42 3.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.405 0.282 . . . . 0.96 110.987 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.43 83.19 7.97 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.914 0.388 . . . . 1.39 110.633 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 p -90.51 -40.08 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 115.815 -0.63 . . . . 0.82 110.419 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -75.62 -25.83 57.27 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 122.62 0.368 . . . . 1.74 111.007 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 63.2 79.67 0.25 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 123.9 0.88 . . . . 2.45 111.691 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -131.53 25.46 4.77 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.642 -0.708 . . . . 1.41 111.074 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 t 70.78 -68.45 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.077 0.951 . . . . 1.61 112.007 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 150.78 45.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.405 0.282 . . . . 2.42 111.164 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.22 92.75 4.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.734 0.413 . . . . 1.23 111.554 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.87 161.11 29.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.412 -0.588 . . . . 2.35 109.412 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.52 -26.96 67.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.617 0.599 . . . . 1.43 112.617 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.12 -31.81 69.53 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.832 -0.433 . . . . 1.24 109.832 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -84.77 -40.89 16.71 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.731 0.412 . . . . 1.03 110.188 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -68.54 -16.6 63.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.179 0.592 . . . . 0.79 111.085 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -40.16 -40.88 1.18 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.874 1.67 . . . . 1.98 113.649 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 -62.8 -33.56 75.46 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.219 0.822 . . . . 2.48 113.219 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.19 -28.1 42.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 117.955 0.343 . . . . 0.59 111.699 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -55.29 -40.55 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 122.317 0.247 . . . . 0.91 110.381 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.37 -33.95 46.96 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 120.029 -0.317 . . . . 0.49 112.354 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.67 -26.94 63.67 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.157 0.583 . . . . 0.86 111.833 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.12 -48.35 65.65 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.698 0.399 . . . . 0.95 110.962 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.23 -11.73 60.13 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 111.941 0.349 . . . . 1.12 111.941 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -84.56 -41.51 16.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.328 0.651 . . . . 1.46 110.712 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.58 -20.06 47.86 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.63 0.604 . . . . 1.65 112.63 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -39.46 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 112.563 0.579 . . . . 0.93 112.563 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.38 -42.28 6.05 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.374 0.509 . . . . 2.16 112.374 -178.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -138.33 78.83 1.7 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.502 0.556 . . . . 1.87 112.502 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.66 -33.1 35.86 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.721 -0.474 . . . . 2.47 109.721 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -116.39 68.46 0.73 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.549 -0.908 . . . . 1.83 108.549 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.86 66.98 2.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.483 0.658 . . . . 1.81 111.373 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tp -175.07 -45.2 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.322 -0.854 . . . . 1.45 110.897 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -91.99 -55.94 3.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.369 0.668 . . . . 2.03 111.354 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.23 128.35 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.732 0.413 . . . . 1.24 110.926 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -135.44 49.46 2.17 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.908 0.385 . . . . 2.8 111.728 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.51 83.51 0.47 Allowed 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.215 0.531 . . . . 2.08 110.724 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.3 tttp . . . . . 0 N--CA 1.474 0.734 0 CA-C-N 115.697 -0.683 . . . . 1.94 110.251 -179.369 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 113.11 0.781 . . . . 2.04 113.11 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.67 138.88 49.58 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.113 0.415 . . . . 0.9 111.149 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 100.92 8.87 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.6 0.238 . . . . 1.0 110.677 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -92.66 145.12 29.78 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.67 0.788 . . . . 1.1 111.501 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.44 126.53 15.72 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.426 2.084 . . . . 1.08 113.044 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.3 mt -122.15 -137.05 0.31 Allowed 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 118.797 -0.62 . . . . 1.32 110.495 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -78.89 162.82 25.77 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.363 0.983 . . . . 1.51 111.091 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -36.17 -54.44 0.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.46 1.282 . . . . 1.51 114.46 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.73 -40.77 72.57 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.097 0.406 . . . . 0.84 112.097 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.448 0.299 . . . . 0.95 111.62 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -76.49 -30.84 57.41 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.428 0.691 . . . . 0.85 111.328 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -58.01 -55.11 39.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.795 0.438 . . . . 1.04 111.516 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.36 -19.94 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 123.16 0.287 . . . . 1.1 111.655 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -77.91 -36.79 49.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.195 0.598 . . . . 1.0 110.804 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 17.0 m -59.32 -37.74 78.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.758 0.423 . . . . 1.34 111.82 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.47 -35.73 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 122.232 0.213 . . . . 0.78 111.57 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -81.56 -12.7 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 112.345 0.498 . . . . 0.97 112.345 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -105.98 -33.59 7.87 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.839 0.681 . . . . 0.88 112.839 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -70.56 -37.7 74.04 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.326 0.491 . . . . 0.75 112.326 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -110.13 26.43 10.68 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.385 0.513 . . . . 1.21 112.385 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -76.92 -36.19 56.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.252 0.221 . . . . 3.66 110.503 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -58.75 -33.66 70.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.148 0.579 . . . . 1.51 111.825 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -88.12 -39.59 14.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.91 0.484 . . . . 1.82 111.426 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.45 85.24 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.486 0.921 . . . . 0.91 113.486 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -73.61 -20.51 60.58 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 113.349 0.87 . . . . 2.05 113.349 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -52.18 -47.54 65.48 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.606 0.762 . . . . 1.91 112.922 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.7 -169.72 1.88 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 122.586 0.354 . . . . 1.45 110.622 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.54 139.93 25.88 Favored Glycine 0 C--N 1.361 1.971 0 N-CA-C 114.625 0.61 . . . . 1.1 114.625 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 63.29 139.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.123 0.969 . . . . 3.19 111.834 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -76.08 -47.43 24.6 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.489 0.315 . . . . 1.24 111.721 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.93 52.81 1.18 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.9 0.381 . . . . 1.36 110.441 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.8 t -153.21 115.34 4.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.797 0.439 . . . . 1.36 110.644 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.65 147.32 37.6 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.264 0.225 . . . . 0.9 110.939 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -81.79 169.65 16.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.598 0.359 . . . . 1.1 111.503 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.98 -35.45 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 112.486 0.55 . . . . 0.81 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -107.33 39.59 1.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.73 0.3 . . . . 0.95 111.199 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.92 -48.08 2.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.474 0.31 . . . . 1.61 110.561 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.74 -34.07 77.03 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 122.983 0.177 . . . . 0.78 111.183 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -65.58 -40.48 92.78 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.483 0.313 . . . . 0.9 111.116 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.52 -31.99 71.63 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.271 0.229 . . . . 0.69 110.767 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.04 -35.87 66.81 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.484 0.314 . . . . 0.88 111.129 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.465 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 78.7 t -76.29 -22.99 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 122.465 0.306 . . . . 0.62 111.757 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -106.27 34.44 3.36 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 118.024 0.374 . . . . 0.83 111.197 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -161.19 -53.16 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.96 0.356 . . . . 1.3 111.96 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -107.62 -11.69 15.4 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.836 0.68 . . . . 0.84 112.836 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 2.2 tp -138.0 46.49 1.31 Allowed Pre-proline 0 CA--C 1.561 1.382 0 CA-C-N 118.138 0.427 . . . . 0.88 111.482 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.71 -36.46 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.63 2.22 . . . . 0.52 115.154 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -79.41 -19.78 49.17 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.055 0.761 . . . . 0.95 113.055 -178.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.5 tp -72.81 -60.7 2.11 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.057 0.389 . . . . 1.22 110.557 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -84.01 115.69 22.46 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.788 -0.819 . . . . 0.84 108.788 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.17 -36.01 65.41 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.015 0.746 . . . . 1.78 113.015 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.54 101.85 12.49 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 122.542 0.337 . . . . 1.94 110.575 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -88.15 -32.71 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 116.499 -0.319 . . . . 0.7 111.168 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.1 -35.73 8.0 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 119.806 -0.441 . . . . 0.67 112.711 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -90.52 73.84 6.84 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.142 0.471 . . . . 1.26 110.508 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -6.83 23.11 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.85 -0.614 . . . . 1.59 111.556 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.12 -27.45 69.09 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.367 0.506 . . . . 0.73 112.367 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.86 -42.14 98.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.684 0.393 . . . . 1.1 110.904 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.0 -26.01 21.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 119.381 -0.342 . . . . 1.93 111.611 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.33 -39.4 86.93 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.124 0.416 . . . . 1.04 112.124 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -69.13 -34.33 74.85 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.684 0.22 . . . . 3.0 110.53 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -71.32 -37.93 71.73 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 109.941 -0.392 . . . . 1.0 109.941 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 22.5 mt -68.11 -46.23 71.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.0 0.52 . . . . 0.97 111.17 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.95 72.71 9.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.84 0.352 . . . . 1.32 110.398 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.45 -35.08 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.83 110.807 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -80.58 -31.49 36.79 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.092 0.557 . . . . 1.65 110.811 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 59.95 79.31 0.24 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.058 0.943 . . . . 2.44 111.753 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.57 33.99 0.95 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.676 -0.693 . . . . 1.3 110.871 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m 68.5 -59.6 0.45 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.494 1.118 . . . . 1.67 112.507 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -73.7 157.4 36.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.739 0.415 . . . . 2.4 110.849 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.86 100.11 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.395 0.278 . . . . 1.43 110.263 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -65.32 162.88 16.59 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.647 0.379 . . . . 2.2 110.307 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -28.07 69.62 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 118.21 0.459 . . . . 1.47 111.27 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -69.06 -37.19 78.39 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.782 -0.451 . . . . 1.32 109.782 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.92 -28.69 25.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.889 0.476 . . . . 0.93 110.693 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -81.41 -6.09 58.57 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.298 0.639 . . . . 0.75 111.415 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -19.24 61.99 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.355 0.662 . . . . 1.87 112.535 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -65.82 -29.44 69.91 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.342 0.257 . . . . 2.72 111.614 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -92.24 -37.21 12.8 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 119.458 -0.306 . . . . 0.62 110.491 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.91 -35.98 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 110.255 -0.276 . . . . 1.18 110.255 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.37 90.84 Favored Glycine 0 C--N 1.353 1.528 0 N-CA-C 111.516 -0.634 . . . . 0.44 111.516 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.48 -28.4 67.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.713 0.405 . . . . 0.91 110.986 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.68 -53.68 54.55 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.545 0.338 . . . . 0.89 110.533 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.87 57.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.09 0.774 . . . . 1.12 113.09 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.94 -44.27 11.15 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.12 0.418 . . . . 1.54 111.316 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.63 -14.71 61.66 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.795 0.665 . . . . 1.68 112.795 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -43.14 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 117.895 0.316 . . . . 0.92 111.661 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.61 -33.69 18.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.001 0.371 . . . . 2.09 112.001 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -145.72 90.17 1.97 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.655 0.613 . . . . 1.96 112.655 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -35.41 25.0 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.038 -0.727 . . . . 2.66 109.038 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -132.81 84.48 2.14 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.289 -1.004 . . . . 1.65 108.289 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.28 65.62 4.5 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 121.309 0.576 . . . . 1.72 111.07 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 tp -161.8 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.533 -0.758 . . . . 1.56 110.685 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -91.1 -56.52 3.13 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.519 0.327 . . . . 1.86 110.498 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 pt -103.47 130.12 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 122.661 0.384 . . . . 1.25 110.383 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.92 9.58 5.38 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.076 0.769 . . . . 2.97 113.076 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 119.46 3.84 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 117.959 0.345 . . . . 2.3 111.386 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.173 -0.918 . . . . 2.1 110.584 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.068 0.461 . . . . 3.15 111.538 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.74 170.21 20.31 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.191 -0.459 . . . . 1.19 111.897 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.32 98.37 9.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.885 0.474 . . . . 1.01 111.057 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -113.67 133.21 22.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 122.843 0.457 . . . . 1.02 110.593 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.07 147.5 21.0 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.972 2.448 . . . . 0.95 114.137 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.7 mt -138.93 -69.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.836 0.454 . . . . 1.29 111.041 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.6 p -107.13 174.49 5.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.098 0.559 . . . . 1.34 110.695 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.68 -45.55 91.75 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.453 0.538 . . . . 1.42 112.453 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.31 -39.67 62.72 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.592 0.219 . . . . 0.77 111.592 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.03 -34.09 77.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 110.35 -0.241 . . . . 1.03 110.35 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.03 -31.3 70.87 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 122.801 0.44 . . . . 0.81 111.198 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -63.47 -58.07 8.21 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.816 0.28 . . . . 1.04 111.125 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.08 -27.69 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 111.933 0.345 . . . . 1.07 111.933 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -71.75 -41.5 68.35 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.03 0.532 . . . . 1.0 110.786 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -61.23 -34.49 75.21 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.941 0.497 . . . . 1.16 111.825 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.8 t -69.32 -31.9 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 117.767 0.258 . . . . 0.64 110.85 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.71 -50.2 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.69 0.396 . . . . 0.95 110.444 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -59.99 -46.44 89.47 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.202 1.186 . . . . 0.93 114.202 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -64.43 -42.73 95.86 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.438 0.903 . . . . 0.76 113.438 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -87.64 -32.33 19.33 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.375 0.88 . . . . 1.1 113.375 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.72 -16.87 64.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.73 0.641 . . . . 3.79 112.73 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -61.98 -32.59 73.06 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 117.68 0.218 . . . . 1.74 110.633 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -105.26 -26.62 11.95 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.101 0.561 . . . . 1.82 111.806 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -20.89 61.74 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.546 0.943 . . . . 1.0 113.546 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -68.17 -14.27 62.85 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.196 0.813 . . . . 1.8 113.196 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -71.34 -44.47 65.0 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.398 0.518 . . . . 2.01 112.398 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.13 -178.04 6.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.314 0.246 . . . . 1.59 111.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.8 133.3 40.38 Favored Glycine 0 C--N 1.36 1.872 0 N-CA-C 114.325 0.49 . . . . 1.2 114.325 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 65.11 134.98 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.189 0.996 . . . . 3.16 112.173 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.35 -29.52 34.08 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.069 -0.514 . . . . 1.46 111.483 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -84.12 -13.7 52.27 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.917 0.487 . . . . 1.43 112.141 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 72' ' ' LYS . 22.6 t -97.89 152.87 18.77 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 112.442 0.534 . . . . 1.33 112.442 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.16 152.5 20.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.587 -0.733 . . . . 0.88 109.765 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 t -83.06 147.88 27.87 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 110.336 -0.246 . . . . 0.99 110.336 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.66 -22.37 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 113.404 0.89 . . . . 0.73 113.404 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -101.07 -29.32 12.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.259 0.466 . . . . 0.92 112.259 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.1 -37.53 66.69 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 112.26 0.467 . . . . 1.54 112.26 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -66.19 -38.25 87.55 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.691 0.223 . . . . 0.79 110.603 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.45 -40.01 92.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.564 0.346 . . . . 0.97 110.841 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.09 -34.32 77.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.411 0.284 . . . . 0.73 111.093 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.48 -37.94 88.3 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.723 0.409 . . . . 0.84 110.807 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.98 -32.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.955 0.502 . . . . 0.61 111.425 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -100.76 28.69 4.99 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 122.403 0.281 . . . . 0.8 111.678 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -153.48 -58.38 0.13 Allowed 'General case' 0 C--N 1.36 1.043 0 N-CA-C 112.151 0.426 . . . . 1.41 112.151 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -104.06 -14.99 15.71 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.444 0.905 . . . . 0.97 113.444 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.52 51.69 5.23 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 118.165 0.439 . . . . 0.85 112.151 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -85.41 -32.86 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.232 1.954 . . . . 0.52 114.782 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -69.27 -39.64 78.27 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.51 0.559 . . . . 0.98 112.51 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.61 -56.07 16.28 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.565 0.346 . . . . 1.12 111.517 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.2 mt -93.5 106.08 18.08 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.408 -0.59 . . . . 0.94 109.408 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -60.79 -29.22 69.31 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.581 0.586 . . . . 1.91 112.581 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.32 71.65 5.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 122.397 0.279 . . . . 2.08 111.351 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.5 -38.21 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 116.915 -0.13 . . . . 0.75 111.175 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.64 -28.55 18.75 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-O 119.782 -0.455 . . . . 0.83 112.732 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -99.17 53.08 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-O 121.009 0.433 . . . . 1.26 110.883 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -17.19 38.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.79 0.436 . . . . 1.59 111.379 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.86 -32.79 33.62 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.612 0.968 . . . . 0.77 113.612 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.07 -39.7 93.32 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.876 0.307 . . . . 1.09 110.889 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.71 -30.92 18.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.554 0.342 . . . . 1.92 111.191 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.4 ttp -58.48 -40.23 82.16 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.912 0.485 . . . . 1.09 111.476 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -66.79 -34.46 77.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 122.993 0.183 . . . . 3.13 110.902 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 m -71.09 -34.97 71.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.911 0.484 . . . . 1.0 111.796 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.79 -59.17 3.52 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.389 0.276 . . . . 0.96 111.129 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.21 74.6 10.42 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 121.083 0.468 . . . . 1.39 110.558 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.35 -27.25 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 CA-C-N 115.633 -0.712 . . . . 0.82 111.032 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.73 -19.72 63.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.37 0.668 . . . . 1.74 112.335 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 61.79 60.06 1.65 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.843 0.857 . . . . 2.45 112.175 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -144.02 16.4 1.74 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.148 -0.478 . . . . 1.41 112.034 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.1 m 55.39 29.84 13.84 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 113.215 0.82 . . . . 1.61 113.215 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.58 116.92 16.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.887 0.475 . . . . 2.42 110.058 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.89 77.31 1.84 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.758 0.313 . . . . 1.23 111.556 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 7.1 ttpm? -68.96 159.43 32.75 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 118.683 -0.675 . . . . 2.35 109.753 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -28.67 48.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.905 0.705 . . . . 1.43 112.905 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.07 -32.77 73.34 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 109.824 -0.436 . . . . 1.24 109.824 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.25 -40.15 11.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.921 0.888 . . . . 1.03 110.762 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -68.59 -16.36 63.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.852 0.861 . . . . 0.79 111.709 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -27.55 16.18 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.788 0.835 . . . . 1.98 112.387 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -62.15 -34.51 76.53 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.884 0.473 . . . . 2.48 111.343 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.3 tp -88.93 -28.92 19.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.337 0.255 . . . . 0.59 110.508 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mm -59.79 -37.42 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.842 0.457 . . . . 0.91 110.469 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.88 87.63 Favored Glycine 0 C--N 1.354 1.531 0 N-CA-C 111.598 -0.601 . . . . 0.49 111.598 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -22.94 62.9 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.77 0.428 . . . . 0.86 111.249 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.51 -43.52 89.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.379 0.672 . . . . 0.95 111.004 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.94 -18.55 21.81 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.732 0.641 . . . . 1.12 112.732 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -77.5 -48.6 16.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.821 0.282 . . . . 1.46 110.786 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.09 -30.94 69.57 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.447 0.906 . . . . 1.65 113.447 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -38.59 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 118.894 0.77 . . . . 0.93 111.517 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -102.24 10.2 39.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.719 0.637 . . . . 2.16 112.719 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt 179.76 63.89 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.394 0.678 . . . . 1.87 111.288 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -42.48 29.24 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 122.382 -0.199 . . . . 2.47 111.115 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.57 65.79 1.33 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.449 -0.945 . . . . 1.83 108.449 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.29 68.09 0.73 Allowed 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 121.262 0.553 . . . . 1.81 111.517 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.34 -48.71 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.876 0.871 . . . . 1.45 109.932 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -87.89 -55.05 3.93 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.103 0.561 . . . . 2.03 110.732 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 pt -115.29 138.7 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 1.24 110.064 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -143.36 37.93 1.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.313 0.486 . . . . 2.8 112.313 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 90.76 0.4 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.329 0.252 . . . . 2.08 111.451 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 tttp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.018 0.437 . . . . 1.94 110.609 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 112.472 0.545 . . . . 2.04 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 160.44 14.53 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.821 0.448 . . . . 0.9 110.57 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.17 111.11 22.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.124 0.169 . . . . 1.0 111.429 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -104.48 142.29 24.31 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.046 0.539 . . . . 1.1 111.573 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.11 128.85 30.32 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.203 2.602 . . . . 1.08 114.121 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -135.19 -153.3 0.51 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.294 0.638 . . . . 1.32 110.509 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -56.41 159.8 3.46 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.915 0.78 . . . . 1.51 110.796 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.17 -46.78 12.29 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.558 0.947 . . . . 1.51 113.558 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.35 -41.36 73.25 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.811 0.301 . . . . 0.84 111.811 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.77 -24.48 60.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.565 0.346 . . . . 0.95 111.515 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -84.1 -31.19 25.41 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.464 0.706 . . . . 0.85 111.448 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -59.26 -51.54 69.51 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.858 0.299 . . . . 1.04 110.955 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -69.82 -23.87 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 111.948 0.351 . . . . 1.1 111.948 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -38.23 66.78 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.995 0.518 . . . . 1.0 111.061 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -59.07 -35.68 73.78 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.41 0.522 . . . . 1.34 112.41 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.65 -31.06 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 122.311 0.244 . . . . 0.78 110.683 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 50.3 t -74.34 -58.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.015 0.526 . . . . 0.97 110.686 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -58.6 -35.61 72.72 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.822 1.045 . . . . 0.88 113.822 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -42.15 82.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 119.373 -0.346 . . . . 0.75 111.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -111.11 26.07 11.09 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.087 0.773 . . . . 1.21 113.087 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -80.55 -40.38 26.01 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.422 0.556 . . . . 3.66 109.897 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 28.6 m -59.9 -31.21 69.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.861 0.464 . . . . 1.51 111.004 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.34 -32.84 19.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.737 0.415 . . . . 1.82 111.039 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.68 -23.96 58.71 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.792 0.664 . . . . 0.91 112.792 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -86.3 5.11 36.06 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 112.832 0.678 . . . . 2.05 112.832 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.02 -44.4 20.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.552 0.341 . . . . 1.91 111.503 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -107.81 176.72 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.719 0.408 . . . . 1.45 111.219 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.2 123.61 0.01 OUTLIER Glycine 0 C--N 1.362 2.0 0 N-CA-C 116.736 1.454 . . . . 1.1 116.736 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 65.28 146.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.333 1.053 . . . . 3.19 112.616 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -80.77 -36.0 32.45 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.115 -0.493 . . . . 1.24 110.512 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.59 46.59 0.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.012 0.525 . . . . 1.36 110.104 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.72 139.0 18.41 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.959 0.504 . . . . 1.36 110.878 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.2 153.23 18.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.892 0.477 . . . . 0.9 110.624 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -83.88 164.67 19.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.279 0.232 . . . . 1.1 110.676 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.95 -27.4 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 112.54 0.57 . . . . 0.81 112.54 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -95.45 -32.45 12.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.179 0.437 . . . . 0.95 112.179 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.18 -41.07 77.67 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.738 0.644 . . . . 1.61 112.738 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.57 -35.87 79.85 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 111.52 0.193 . . . . 0.78 111.52 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.711 0.404 . . . . 0.9 110.819 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.06 -32.71 74.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.533 0.333 . . . . 0.69 110.777 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.73 -37.65 70.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.874 0.47 . . . . 0.88 111.003 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.39 -29.12 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.609 0.364 . . . . 0.62 111.091 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.22 40.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.641 0.257 . . . . 0.83 111.103 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -159.85 -57.15 0.06 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 122.255 -0.278 . . . . 1.3 111.521 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -109.21 -13.38 14.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.462 0.542 . . . . 0.84 112.462 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 tp -133.29 42.54 0.86 Allowed Pre-proline 0 CA--C 1.566 1.591 0 N-CA-C 112.417 0.525 . . . . 0.88 112.417 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.09 -38.3 0.45 Allowed 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.069 1.846 . . . . 0.52 114.799 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -72.61 -22.21 61.0 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.525 0.565 . . . . 0.95 112.525 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 tp -73.03 -64.88 0.88 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 117.844 0.293 . . . . 1.22 110.785 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.33 99.59 12.09 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.682 -0.859 . . . . 0.84 108.682 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -45.86 -41.41 11.18 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.327 0.862 . . . . 1.78 113.327 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -91.32 85.2 5.74 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 110.223 -0.288 . . . . 1.94 110.223 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.76 -30.5 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 112.319 0.488 . . . . 0.7 112.319 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.76 -48.09 6.36 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.695 -0.503 . . . . 0.67 113.393 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -99.69 63.04 1.21 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 117.037 0.419 . . . . 1.26 110.691 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -95.41 67.87 2.95 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.937 -0.764 . . . . 1.59 108.937 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.15 -32.85 5.21 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.171 -0.922 . . . . 0.73 111.403 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.45 -40.29 86.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.663 0.385 . . . . 1.1 110.876 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.66 -42.9 23.82 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 122.585 0.354 . . . . 1.93 110.289 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 42.9 ttp -49.84 -38.24 34.13 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.922 0.712 . . . . 1.04 112.922 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -73.2 -40.58 64.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.231 0.212 . . . . 3.0 111.105 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -71.42 -25.58 62.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.73 0.412 . . . . 1.0 111.392 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 52.6 mt -72.38 -61.83 1.66 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.885 0.474 . . . . 0.97 110.674 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -90.05 84.23 6.14 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.753 0.421 . . . . 1.32 109.972 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 p -89.54 -21.27 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.672 -0.695 . . . . 0.83 111.971 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -76.0 -21.0 57.37 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 112.628 0.603 . . . . 1.65 112.628 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.88 61.0 1.73 Allowed 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.475 0.71 . . . . 2.44 111.313 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.36 15.44 2.58 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.328 0.492 . . . . 1.3 112.328 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 60.32 27.66 17.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.507 0.723 . . . . 1.67 112.686 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -134.73 127.22 30.56 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.655 0.382 . . . . 2.4 110.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.55 73.44 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.983 0.42 . . . . 1.43 110.38 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.06 171.32 1.29 Allowed 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.019 -0.734 . . . . 2.2 109.019 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -65.79 -19.75 66.0 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.492 1.042 . . . . 1.47 111.693 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -77.42 -32.01 54.4 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.547 -0.538 . . . . 1.32 109.547 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -86.2 -43.8 12.7 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.639 0.776 . . . . 0.93 110.068 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -69.48 -13.95 62.62 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.845 0.858 . . . . 0.75 111.271 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -39.39 -40.08 0.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.602 1.561 . . . . 1.87 113.185 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -69.57 -32.1 70.67 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.752 1.019 . . . . 2.72 113.752 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.59 -35.84 60.47 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.753 0.706 . . . . 0.62 111.682 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.3 mm -61.57 -38.17 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.185 -0.672 . . . . 1.18 109.185 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.63 -43.37 52.4 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 111.44 -0.664 . . . . 0.44 111.44 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.01 -22.42 62.16 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.495 0.318 . . . . 0.91 111.491 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -52.41 63.85 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.994 0.518 . . . . 0.89 109.791 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.13 -29.3 54.66 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.929 -0.578 . . . . 1.12 111.899 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.46 -27.47 65.26 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.76 0.254 . . . . 1.54 110.87 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -100.62 31.18 3.59 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 122.628 0.371 . . . . 1.68 111.927 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.4 -37.11 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.999 0.519 . . . . 0.92 110.422 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -43.41 2.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 122.683 0.393 . . . . 2.09 111.267 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -104.89 41.68 1.31 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 112.045 0.387 . . . . 1.96 112.045 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -38.53 66.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.437 0.295 . . . . 2.66 111.012 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -141.71 70.6 1.34 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.397 0.679 . . . . 1.65 109.466 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.95 -24.96 67.31 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.716 1.006 . . . . 1.72 113.716 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 mp -87.21 -44.45 11.45 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.375 0.509 . . . . 1.56 112.375 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -75.28 -60.66 2.2 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.193 0.442 . . . . 1.86 112.193 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.7 pt -109.68 143.1 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.777 0.431 . . . . 1.25 111.234 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -149.23 30.82 0.76 Allowed 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 113.685 0.994 . . . . 2.97 113.685 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -164.84 78.45 0.33 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.071 0.463 . . . . 2.3 111.547 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.054 -0.974 . . . . 2.1 110.67 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.292 0.567 . . . . 3.15 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.31 152.68 39.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.487 -0.779 . . . . 1.19 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.56 108.06 18.41 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.709 -0.223 . . . . 1.01 111.261 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -127.88 143.71 48.73 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 123.213 0.605 . . . . 1.02 110.691 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.2 145.82 15.46 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.636 2.224 . . . . 0.95 114.144 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -139.51 -62.03 0.53 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.081 0.552 . . . . 1.29 111.904 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -117.77 163.58 16.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.561 0.744 . . . . 1.34 110.544 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.72 -49.5 70.6 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.67 0.619 . . . . 1.42 112.67 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.36 -37.58 63.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 117.918 0.326 . . . . 0.77 111.68 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -63.68 -38.35 90.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.262 0.225 . . . . 1.03 110.434 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.07 -35.76 80.53 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.483 0.713 . . . . 0.81 111.644 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -55.68 -57.03 13.68 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.346 0.258 . . . . 1.04 111.14 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -71.71 -21.57 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 112.222 0.453 . . . . 1.07 112.222 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.19 -36.26 35.18 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.132 0.573 . . . . 1.0 111.979 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.67 -33.69 76.54 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.432 0.293 . . . . 1.16 111.686 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.38 -33.98 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.545 0.338 . . . . 0.64 111.048 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.53 -45.84 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 119.299 -0.381 . . . . 0.95 111.357 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.711 0.634 . . . . 0.93 112.711 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -62.46 -42.1 99.24 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 111.577 0.214 . . . . 0.76 111.577 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -112.33 42.8 1.73 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.683 0.278 . . . . 1.1 111.071 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -91.92 -41.75 10.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.783 0.433 . . . . 3.79 110.342 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -61.81 -34.24 75.56 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.14 0.576 . . . . 1.74 111.506 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -79.19 -38.18 36.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.509 0.324 . . . . 1.82 111.134 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.25 71.32 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.787 0.662 . . . . 1.0 112.787 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -79.48 -11.86 59.89 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 112.339 0.496 . . . . 1.8 112.339 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.35 -46.39 83.68 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.334 0.254 . . . . 2.01 111.086 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -93.07 -179.88 5.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.669 0.388 . . . . 1.59 110.606 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.24 139.11 26.19 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.501 0.961 . . . . 1.2 115.501 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 68.06 137.6 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.649 1.18 . . . . 3.16 112.409 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -74.52 -37.7 63.0 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.058 -0.519 . . . . 1.46 111.233 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -97.91 44.99 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.661 0.384 . . . . 1.43 110.423 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 t -146.84 141.1 26.27 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 112.323 0.49 . . . . 1.33 112.323 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -101.99 160.84 14.15 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.244 -0.65 . . . . 0.88 109.244 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -97.0 162.6 13.31 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.634 0.235 . . . . 0.99 111.634 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.01 -31.37 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.039 0.536 . . . . 0.73 112.085 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -91.83 -30.67 16.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.817 0.447 . . . . 0.92 110.945 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -69.51 -36.46 76.49 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.381 0.511 . . . . 1.54 112.381 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -38.36 71.83 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.882 -0.414 . . . . 0.79 109.882 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.02 -39.96 95.27 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 122.739 0.416 . . . . 0.97 110.783 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.21 -31.6 70.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.568 0.347 . . . . 0.73 110.736 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.0 -32.16 70.2 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.752 0.421 . . . . 0.84 111.612 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.8 t -82.83 -26.17 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.159 0.583 . . . . 0.61 111.419 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.05 32.99 4.2 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.787 0.292 . . . . 0.8 111.787 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -157.65 -58.74 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 O-C-N 122.03 -0.419 . . . . 1.41 112.109 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -104.25 -12.54 16.59 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.541 0.571 . . . . 0.97 112.541 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.09 44.72 1.1 Allowed Pre-proline 0 CA--C 1.567 1.606 0 N-CA-C 112.457 0.54 . . . . 0.85 112.457 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -82.87 -28.66 1.56 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 122.592 2.195 . . . . 0.52 114.614 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -76.27 -27.4 56.67 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.485 0.55 . . . . 0.98 112.485 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.66 -62.71 1.32 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.614 0.188 . . . . 1.12 111.157 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -85.56 110.88 19.54 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 108.932 -0.766 . . . . 0.94 108.932 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -31.8 69.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.57 0.581 . . . . 1.91 112.57 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.14 92.16 8.84 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.481 -0.563 . . . . 2.08 109.481 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.24 -18.09 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 112.89 0.7 . . . . 0.75 112.89 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.2 -60.46 0.75 Allowed Glycine 0 C--N 1.355 1.62 0 CA-C-N 117.932 0.333 . . . . 0.83 113.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 t -83.66 88.81 7.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.956 0.354 . . . . 1.26 111.956 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.74 27.86 8.06 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.408 . . . . 1.59 111.383 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.04 -26.23 63.0 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 122.096 -0.377 . . . . 0.77 111.537 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.1 -36.09 72.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.714 0.406 . . . . 1.09 111.339 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -94.37 -22.76 18.12 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.308 0.484 . . . . 1.92 112.308 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 51.0 ttp -65.25 -43.07 92.51 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.341 0.519 . . . . 1.09 110.643 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -69.87 -34.93 74.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.226 0.329 . . . . 3.13 110.388 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.6 m -69.37 -36.23 76.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.771 0.429 . . . . 1.0 110.574 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.61 -61.66 1.86 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.192 0.597 . . . . 0.96 110.705 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.43 82.43 8.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.661 0.384 . . . . 1.39 110.979 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -96.95 -26.73 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.101 -0.499 . . . . 0.82 110.973 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -77.71 -33.48 53.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.212 0.605 . . . . 1.74 111.507 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 68.64 58.89 0.39 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.313 1.045 . . . . 2.45 112.434 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.0 14.7 5.23 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.907 -0.588 . . . . 1.41 111.157 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t 76.53 -52.78 0.59 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.413 1.085 . . . . 1.61 112.199 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.73 125.16 28.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.493 0.317 . . . . 2.42 111.232 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -90.68 88.74 7.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.436 0.295 . . . . 1.23 110.505 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -66.21 165.1 14.41 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 119.358 -0.353 . . . . 2.35 110.443 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.9 -25.04 60.29 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.314 0.506 . . . . 1.43 112.325 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -72.09 -30.3 64.96 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.799 -0.445 . . . . 1.24 109.799 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -37.12 22.68 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.366 0.666 . . . . 1.03 109.801 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.27 -21.44 61.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.1 0.56 . . . . 0.79 110.788 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -51.02 -35.35 33.75 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.74 1.216 . . . . 1.98 112.986 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -63.37 -39.43 94.5 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.262 0.467 . . . . 2.48 112.262 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.5 tp -74.02 -26.02 60.2 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.536 -0.268 . . . . 0.59 111.475 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.9 mm -65.44 -34.66 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 110.143 -0.317 . . . . 0.91 110.143 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.51 -47.24 91.77 Favored Glycine 0 C--N 1.358 1.765 0 N-CA-C 112.497 -0.241 . . . . 0.49 112.497 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.07 -17.11 57.4 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.768 0.427 . . . . 0.86 111.876 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -61.37 -50.07 74.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.505 0.722 . . . . 0.95 111.445 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.66 -16.67 31.78 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.181 0.437 . . . . 1.12 112.181 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -78.16 -26.76 47.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.564 0.346 . . . . 1.46 111.289 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.65 -15.19 24.19 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.603 0.964 . . . . 1.65 113.603 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -38.56 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 118.913 0.779 . . . . 0.93 111.618 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -97.78 -35.5 10.51 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.175 0.435 . . . . 2.16 112.175 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -137.77 68.98 1.4 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.387 0.514 . . . . 1.87 112.387 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -34.56 77.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 122.3 -0.25 . . . . 2.47 110.609 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -131.62 85.06 2.22 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.65 -0.87 . . . . 1.83 108.65 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.92 70.76 5.31 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 1.81 111.996 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 tp -176.44 -46.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.503 -0.771 . . . . 1.45 110.579 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -85.05 -53.46 5.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.126 0.571 . . . . 2.03 110.86 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.47 132.89 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 122.99 0.516 . . . . 1.24 110.855 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -145.52 40.61 1.21 Allowed 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.717 0.636 . . . . 2.8 112.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -168.79 94.49 0.34 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.045 0.45 . . . . 2.08 111.344 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-N 116.312 -0.404 . . . . 1.94 110.313 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.479 0.548 . . . . 2.04 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.72 129.58 42.72 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 122.675 0.39 . . . . 0.9 111.079 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.65 108.38 4.97 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.628 -0.26 . . . . 1.0 111.525 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -98.35 143.31 26.06 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.21 0.604 . . . . 1.1 110.978 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -59.16 129.37 31.34 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.918 2.412 . . . . 1.08 113.725 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 mt -133.45 -133.98 0.17 Allowed 'General case' 0 CA--C 1.564 1.496 0 CA-C-O 118.948 -0.548 . . . . 1.32 110.557 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -68.12 163.32 22.8 Favored 'General case' 0 C--N 1.368 1.381 0 CA-C-N 119.172 0.896 . . . . 1.51 110.866 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.32 -43.07 53.66 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.035 0.754 . . . . 1.51 113.035 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.83 -41.94 58.96 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.712 0.233 . . . . 0.84 110.952 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.62 -30.67 68.45 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.745 0.418 . . . . 0.95 110.976 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.99 -31.43 62.96 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.553 0.741 . . . . 0.85 111.355 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -61.78 -53.5 55.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.527 0.331 . . . . 1.04 111.081 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.31 -21.1 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 122.443 0.297 . . . . 1.1 111.463 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -78.52 -37.68 42.43 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.388 0.675 . . . . 1.0 110.811 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 26.8 m -57.57 -39.55 77.0 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.995 0.518 . . . . 1.34 111.551 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.72 -29.1 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.495 0.318 . . . . 0.78 111.064 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.4 -22.7 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.969 0.507 . . . . 0.97 111.823 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 30.6 p -97.62 -11.66 23.34 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.865 0.691 . . . . 0.88 112.865 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -98.39 -56.76 2.37 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.188 0.44 . . . . 0.75 112.188 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -94.73 -41.63 9.16 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.81 1.041 . . . . 1.21 113.81 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.08 -16.69 20.48 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.137 0.791 . . . . 3.66 113.137 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -68.98 -39.39 79.42 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.719 -0.475 . . . . 1.51 109.719 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -83.28 -16.0 47.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.268 0.627 . . . . 1.82 111.834 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 5.29 20.0 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.13 1.159 . . . . 0.91 114.13 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -81.85 -1.11 46.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.451 0.537 . . . . 2.05 112.451 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -64.11 -50.77 66.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.713 0.405 . . . . 1.91 112.082 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.03 -178.98 6.68 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 110.34 -0.245 . . . . 1.45 110.34 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.66 143.6 17.83 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.692 0.637 . . . . 1.1 114.692 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? 66.79 148.52 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.088 0.955 . . . . 3.19 112.795 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -91.84 -37.67 12.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.817 -0.629 . . . . 1.24 110.114 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -90.01 52.79 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.427 0.632 . . . . 1.36 110.408 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.5 p -152.57 156.95 40.32 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.576 -0.738 . . . . 1.36 110.584 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.61 132.69 53.98 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.675 -0.491 . . . . 0.9 109.675 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.5 t -64.1 143.94 57.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.453 0.301 . . . . 1.1 111.788 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.53 -21.73 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 113.196 0.814 . . . . 0.81 113.196 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -97.2 -32.74 11.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.602 0.361 . . . . 0.95 111.646 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.48 -33.08 48.47 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.156 0.799 . . . . 1.61 113.156 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -65.51 -33.09 75.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.483 0.583 . . . . 0.78 111.619 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.47 -38.6 74.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 0.9 111.009 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.35 -29.43 61.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.42 0.288 . . . . 0.69 111.42 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.33 -44.61 94.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.584 0.353 . . . . 0.88 111.054 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.94 -20.17 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.853 0.461 . . . . 0.62 111.832 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -89.12 -19.01 26.07 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.683 0.623 . . . . 0.83 112.683 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -113.94 -57.48 2.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -96.49 -11.0 26.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.135 1.161 . . . . 0.84 114.135 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tp -136.98 42.48 0.67 Allowed Pre-proline 0 CA--C 1.566 1.563 0 CA-C-N 119.067 0.849 . . . . 0.88 112.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.41 -37.25 0.23 Allowed 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.255 1.97 . . . . 0.52 114.374 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -68.21 -34.23 75.87 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.341 0.497 . . . . 0.95 112.341 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 tp -68.44 -63.59 1.03 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.836 0.454 . . . . 1.22 111.17 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.67 109.62 19.31 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.84 109.318 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -57.31 -33.06 67.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.849 0.46 . . . . 1.78 112.144 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.46 84.25 7.72 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.759 -0.46 . . . . 1.94 109.759 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.76 -31.04 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 N-CA-C 112.812 0.671 . . . . 0.7 112.812 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.2 -41.7 5.46 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.038 -0.312 . . . . 0.67 113.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.9 t -100.97 81.73 2.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.602 0.361 . . . . 1.26 110.953 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.08 1.58 47.14 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.439 0.533 . . . . 1.59 112.439 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.36 -30.48 62.72 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.007 0.743 . . . . 0.73 113.007 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -70.16 -39.84 75.09 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 122.356 0.263 . . . . 1.1 111.02 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -110.75 58.02 0.61 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.336 0.589 . . . . 1.93 109.683 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -141.89 -53.88 0.44 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.326 -0.852 . . . . 1.04 109.407 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -74.73 -34.53 62.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.752 0.421 . . . . 3.0 109.946 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 27.2 m -67.87 -34.76 77.3 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.111 0.564 . . . . 1.0 111.055 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.17 -67.51 0.46 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.259 0.349 . . . . 0.97 110.456 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.07 86.56 4.89 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.944 0.402 . . . . 1.32 110.006 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -20.81 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 115.642 -0.708 . . . . 0.83 112.156 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.853 0.686 . . . . 1.65 112.853 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.67 53.39 6.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.197 0.599 . . . . 2.44 111.221 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.39 6.57 10.13 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.244 -0.435 . . . . 1.3 112.088 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.5 m 61.36 24.4 14.51 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.567 0.747 . . . . 1.67 112.24 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -141.92 107.49 5.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.538 0.735 . . . . 2.4 109.186 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.26 90.29 7.51 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.658 0.244 . . . . 1.43 111.658 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -70.98 -179.5 2.31 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.578 -0.897 . . . . 2.2 108.578 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.07 -27.09 63.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.001 0.819 . . . . 1.47 111.428 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.68 -26.33 63.38 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 110.011 -0.366 . . . . 1.32 110.011 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.73 -47.39 7.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.5 0.72 . . . . 0.93 110.478 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -69.07 -14.83 63.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.458 0.703 . . . . 0.75 112.308 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -48.96 -31.42 7.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.342 1.057 . . . . 1.87 112.799 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmm-85 -63.79 -27.36 69.13 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.576 0.584 . . . . 2.72 112.576 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.3 tp -92.36 -33.19 14.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.076 0.398 . . . . 0.62 111.374 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -57.84 -39.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 109.987 -0.375 . . . . 1.18 109.987 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.47 -41.3 77.49 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 110.631 -0.987 . . . . 0.44 110.631 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.87 -24.25 66.82 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 122.778 0.431 . . . . 0.91 111.227 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.89 -53.7 46.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.146 -0.316 . . . . 0.89 110.146 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.88 -15.67 56.91 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.492 0.553 . . . . 1.12 112.492 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -86.8 -34.85 19.43 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.104 0.411 . . . . 1.54 110.653 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -91.18 31.22 1.14 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.645 0.378 . . . . 1.68 111.761 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.67 -36.92 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.211 0.605 . . . . 0.92 109.791 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -115.75 -42.4 3.11 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.59 0.756 . . . . 2.09 111.443 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -105.55 42.11 1.28 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.607 0.241 . . . . 1.96 111.609 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.35 -43.11 61.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.687 -0.486 . . . . 2.66 109.687 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -131.95 61.27 1.66 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.94 -0.763 . . . . 1.65 108.94 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.45 70.95 3.07 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.57 0.7 . . . . 1.72 112.093 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -175.07 -45.9 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.134 -0.939 . . . . 1.56 109.368 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -82.23 -50.15 9.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.608 0.763 . . . . 1.86 110.237 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.65 148.19 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.073 0.549 . . . . 1.25 110.63 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -139.06 18.04 2.62 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.876 0.695 . . . . 2.97 112.876 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -160.01 110.23 1.86 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.081 0.4 . . . . 2.3 111.616 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 39.3 tttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.114 -0.946 . . . . 2.1 111.007 179.329 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 113.207 0.817 . . . . 3.15 113.207 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 156.44 18.04 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 117.961 0.346 . . . . 1.19 111.38 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.34 93.42 5.66 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 116.165 -0.471 . . . . 1.01 110.605 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.16 135.28 19.67 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 116.33 -0.395 . . . . 1.02 110.921 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.38 136.48 14.17 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.582 2.188 . . . . 0.95 113.066 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -132.21 -61.05 0.88 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.457 0.303 . . . . 1.29 111.126 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.0 167.85 10.18 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.566 -0.531 . . . . 1.34 109.566 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.93 -45.02 91.43 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.272 0.471 . . . . 1.42 112.272 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -72.22 -33.9 67.93 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.229 0.455 . . . . 0.77 112.229 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.85 -37.19 70.3 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.133 -0.321 . . . . 1.03 110.133 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.95 -28.52 65.64 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.235 0.614 . . . . 0.81 111.6 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -60.87 -53.4 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.865 0.466 . . . . 1.04 111.567 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -78.49 -17.43 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 112.057 0.392 . . . . 1.07 112.057 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -75.27 -34.61 61.36 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.238 0.615 . . . . 1.0 110.436 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.8 m -62.63 -35.13 78.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.242 0.617 . . . . 1.16 111.704 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.57 -28.85 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 122.37 0.268 . . . . 0.64 110.905 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -81.31 -55.4 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 122.853 0.461 . . . . 0.95 110.936 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -63.48 -35.34 80.15 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.931 1.085 . . . . 0.93 113.931 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.8 m -68.97 -41.87 77.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.394 0.516 . . . . 0.76 112.394 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -103.2 6.55 38.35 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.871 1.063 . . . . 1.1 113.871 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.42 -31.37 70.64 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.699 0.682 . . . . 3.79 110.938 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 m -57.94 -37.43 74.11 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.112 0.565 . . . . 1.74 112.351 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -95.14 -24.06 17.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.602 0.594 . . . . 1.82 112.602 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.27 -19.29 31.8 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.747 0.647 . . . . 1.0 112.747 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -79.44 -36.77 38.39 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.326 0.861 . . . . 1.8 113.326 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.36 -19.17 60.54 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.657 0.984 . . . . 2.01 113.657 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -133.91 118.27 17.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.446 0.566 . . . . 1.59 111.827 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.78 81.66 0.26 Allowed Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.53 -0.595 . . . . 1.2 114.426 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 58.12 172.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.599 0.76 . . . . 3.16 112.759 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.82 -47.24 9.23 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.621 -0.263 . . . . 1.46 111.226 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -98.34 46.29 1.0 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.923 0.392 . . . . 1.43 110.888 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -152.78 137.2 16.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.924 0.49 . . . . 1.33 110.628 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.54 160.15 17.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.6 0.36 . . . . 0.88 111.187 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -88.11 157.29 18.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.707 0.403 . . . . 0.99 110.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -73.48 -25.65 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 112.656 0.613 . . . . 0.73 112.656 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.64 -27.06 14.17 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.285 0.476 . . . . 0.92 112.285 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.91 -31.46 40.19 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.788 0.662 . . . . 1.54 112.788 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -66.29 -33.45 75.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.444 0.566 . . . . 0.79 111.195 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -65.81 -36.44 83.51 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.121 0.568 . . . . 0.97 110.733 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.59 -30.96 68.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.809 0.444 . . . . 0.73 110.909 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 tp -66.89 -32.62 74.0 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.774 0.429 . . . . 0.84 111.175 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.16 -23.71 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 122.898 0.479 . . . . 0.61 111.566 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -100.96 1.24 39.54 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 113.264 0.838 . . . . 0.8 113.264 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.52 -61.2 1.02 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.947 0.794 . . . . 1.41 112.575 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -97.02 -3.41 41.54 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.072 0.767 . . . . 0.97 113.072 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 56.61 3.52 Favored Pre-proline 0 CA--C 1.558 1.263 0 CA-C-N 118.192 0.451 . . . . 0.85 111.84 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -88.18 -32.07 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.252 1.968 . . . . 0.52 115.608 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -79.94 -15.97 56.21 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.63 0.974 . . . . 0.98 113.63 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.69 -56.63 4.36 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.264 0.484 . . . . 1.12 111.289 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.53 113.7 25.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.316 -0.624 . . . . 0.94 109.316 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -33.82 31.38 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 113.172 0.804 . . . . 1.91 113.172 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.25 93.73 8.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.606 0.362 . . . . 2.08 110.419 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.22 -32.33 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 116.46 -0.336 . . . . 0.75 111.631 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.47 -22.44 10.42 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.599 -0.556 . . . . 0.83 113.104 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -96.74 74.32 2.7 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 117.544 0.672 . . . . 1.26 111.475 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.75 13.5 34.26 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.982 0.513 . . . . 1.59 111.392 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.17 -36.64 74.82 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 117.962 0.346 . . . . 0.77 111.611 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.98 -28.15 65.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.441 0.296 . . . . 1.09 111.678 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.93 -45.52 9.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.361 0.264 . . . . 1.92 110.645 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 55.1 ttp -55.79 -33.5 64.44 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.645 0.609 . . . . 1.09 112.645 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -67.48 -42.68 82.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.239 0.215 . . . . 3.13 111.224 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -69.9 -32.72 71.18 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.089 0.243 . . . . 1.0 111.269 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 mt -72.43 -52.92 13.77 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.155 0.285 . . . . 0.96 110.815 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.17 63.39 8.08 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 120.935 0.398 . . . . 1.39 111.417 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.37 -31.47 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-N 116.288 -0.414 . . . . 0.82 110.269 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.65 -30.29 66.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.278 0.631 . . . . 1.74 110.758 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 64.17 78.68 0.28 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.269 1.028 . . . . 2.45 112.75 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -158.78 17.5 0.19 Allowed 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.698 0.629 . . . . 1.41 112.698 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 m 56.17 26.34 10.17 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.187 0.81 . . . . 1.61 113.187 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -135.96 98.72 3.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.69 0.396 . . . . 2.42 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -81.91 80.38 8.2 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.207 -0.451 . . . . 1.23 111.187 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -68.62 158.82 33.23 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.582 -0.895 . . . . 2.35 108.582 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -23.71 51.42 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 119.137 0.881 . . . . 1.43 113.013 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.89 -32.51 72.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 110.019 -0.363 . . . . 1.24 110.019 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.65 -40.13 9.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.604 0.762 . . . . 1.03 110.835 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -69.4 -10.83 59.7 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.028 0.931 . . . . 0.79 112.308 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -19.49 61.76 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.723 0.638 . . . . 1.98 112.723 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -70.66 -29.56 65.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.016 0.371 . . . . 2.48 111.623 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 tp -84.52 -32.99 23.6 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 119.466 -0.302 . . . . 0.59 110.358 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -68.29 -31.97 53.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 109.483 -0.562 . . . . 0.91 109.483 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.74 96.09 Favored Glycine 0 C--N 1.358 1.785 0 N-CA-C 111.36 -0.696 . . . . 0.49 111.36 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -80.28 -26.25 39.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.14 0.576 . . . . 0.86 110.095 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.41 -45.42 91.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.683 0.793 . . . . 0.95 111.428 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.071 0.397 . . . . 1.12 112.071 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -75.22 -31.38 60.85 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 119.611 -0.233 . . . . 1.46 111.531 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -97.24 32.24 2.25 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.062 0.764 . . . . 1.65 113.062 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -40.31 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 108.427 -0.953 . . . . 0.93 108.427 176.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -32.88 12.62 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.467 0.707 . . . . 2.16 111.821 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -130.05 61.2 1.58 Allowed 'General case' 0 C--N 1.36 1.047 0 N-CA-C 112.503 0.557 . . . . 1.87 112.503 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -36.24 56.8 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.607 -0.516 . . . . 2.47 109.607 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -139.36 51.27 1.77 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.651 -0.87 . . . . 1.83 108.651 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -50.81 -34.08 26.17 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.149 1.166 . . . . 1.81 114.149 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.011 0.194 . . . . 1.45 111.52 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -97.88 -55.08 2.9 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.031 0.532 . . . . 2.03 111.527 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.46 131.12 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.245 0.618 . . . . 1.24 111.9 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -137.19 31.29 2.66 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.354 0.502 . . . . 2.8 112.354 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -159.71 94.08 1.12 Allowed 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.22 -0.3 . . . . 2.08 111.034 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.9 tttp . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.859 0.362 . . . . 1.94 110.679 -179.512 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 CA--C 1.549 0.927 0 CA-C-O 120.407 0.146 . . . . 2.04 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 143.06 47.31 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 122.809 0.443 . . . . 0.9 111.08 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.68 112.62 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.404 0.281 . . . . 1.0 111.378 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.93 132.54 26.87 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 122.767 0.427 . . . . 1.1 110.387 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.95 130.28 28.67 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.79 2.327 . . . . 1.08 113.359 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -132.41 -147.38 0.31 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.397 0.679 . . . . 1.32 110.513 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -57.66 161.85 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 119.28 0.946 . . . . 1.51 112.013 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.6 -48.49 7.62 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 113.957 1.095 . . . . 1.51 113.957 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.86 -42.69 80.93 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 117.899 0.318 . . . . 0.84 111.283 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.8 -28.37 65.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.457 0.303 . . . . 0.95 111.109 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.6 -27.49 60.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.218 0.607 . . . . 0.85 110.76 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -59.56 -48.86 80.0 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.005 0.522 . . . . 1.04 111.6 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -78.87 -27.48 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 122.411 0.284 . . . . 1.1 111.536 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -68.84 -41.34 78.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.349 0.66 . . . . 1.0 110.852 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 15.5 p -61.54 -32.0 72.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.791 0.437 . . . . 1.34 112.021 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.28 -29.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 122.21 0.204 . . . . 0.78 110.624 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.31 -59.49 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-O 119.595 -0.24 . . . . 0.97 110.888 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -57.98 -39.76 78.99 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 113.767 1.025 . . . . 0.88 113.767 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -67.16 -27.04 66.97 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.607 0.595 . . . . 0.75 112.607 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -129.43 32.57 4.63 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.165 0.802 . . . . 1.21 113.165 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.37 -34.36 14.91 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.507 -0.553 . . . . 3.66 109.507 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.4 m -60.2 -39.03 85.12 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.291 0.637 . . . . 1.51 111.439 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -78.57 -37.97 41.34 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.719 0.408 . . . . 1.82 110.523 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.7 -23.47 67.26 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.766 0.654 . . . . 0.91 112.766 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -91.52 17.78 8.21 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.274 0.472 . . . . 2.05 112.274 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -91.82 -43.11 9.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 122.691 0.396 . . . . 1.91 111.232 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -103.82 -171.5 1.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.122 0.569 . . . . 1.45 110.706 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.13 136.79 5.29 Favored Glycine 0 C--N 1.363 2.062 0 N-CA-C 115.274 0.87 . . . . 1.1 115.274 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 64.77 147.97 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.355 1.062 . . . . 3.19 111.896 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -87.95 -33.72 18.34 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.236 0.458 . . . . 1.24 112.236 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -100.35 36.89 1.78 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.996 0.369 . . . . 1.36 111.996 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -144.03 142.59 30.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.242 0.217 . . . . 1.36 111.536 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.5 mp -90.39 165.13 14.02 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.177 -0.465 . . . . 0.9 110.255 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.6 t -105.45 159.88 15.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.72 0.408 . . . . 1.1 110.248 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.16 -33.89 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 111.701 0.26 . . . . 0.81 111.701 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.11 -29.94 43.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.204 0.201 . . . . 0.95 111.535 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.75 -43.21 66.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.632 0.373 . . . . 1.61 111.953 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -36.49 73.09 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.273 0.229 . . . . 0.78 111.367 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -60.7 -40.47 92.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.901 0.48 . . . . 0.9 111.179 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.68 -24.85 38.61 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.524 0.33 . . . . 0.69 111.292 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.39 -46.07 71.02 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.495 0.318 . . . . 0.88 110.766 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.29 -27.24 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 122.386 0.274 . . . . 0.62 111.32 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -100.93 33.13 2.92 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 112.218 0.451 . . . . 0.83 112.218 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -159.8 -60.82 0.07 Allowed 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.772 -0.58 . . . . 1.3 112.427 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -100.77 -11.57 19.78 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 112.724 0.638 . . . . 0.84 112.724 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.8 tp -135.07 47.78 2.52 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 118.083 0.401 . . . . 0.88 111.613 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -83.15 -37.67 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 122.563 2.175 . . . . 0.52 115.361 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -71.41 -34.2 70.13 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.297 0.48 . . . . 0.95 112.297 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.49 -59.38 4.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.282 0.233 . . . . 1.22 110.882 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -88.0 99.6 12.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 116.348 -0.387 . . . . 0.84 110.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -53.42 -34.9 59.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.192 0.597 . . . . 1.78 112.356 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.11 82.03 5.05 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.156 0.582 . . . . 1.94 110.412 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 m -86.13 -23.18 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.693 0.627 . . . . 0.7 112.693 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.67 -44.19 4.95 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.917 -0.379 . . . . 0.67 113.676 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 70.34 6.86 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 117.097 0.449 . . . . 1.26 111.672 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.81 -16.9 60.69 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 119.538 -0.267 . . . . 1.59 110.93 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -50.67 -33.16 21.49 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.777 0.658 . . . . 0.73 112.777 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.36 -42.04 94.96 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 117.631 0.196 . . . . 1.1 110.732 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 38.83 2.44 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.012 0.525 . . . . 1.93 110.487 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttt -113.08 -52.91 2.75 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.26 0.624 . . . . 1.04 109.846 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -70.38 -26.93 63.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.706 0.403 . . . . 3.0 110.711 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -71.59 -34.8 70.21 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 123.123 0.569 . . . . 1.0 110.952 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 65.7 mt -75.56 -66.15 0.81 Allowed 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.978 -0.378 . . . . 0.97 109.978 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -81.59 82.86 7.21 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 109.346 -0.613 . . . . 1.32 109.346 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.3 -29.96 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 115.493 -0.776 . . . . 0.83 112.175 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -73.6 -13.26 60.98 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.304 0.483 . . . . 1.65 112.304 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 66.29 75.63 0.33 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.701 0.801 . . . . 2.44 112.226 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.56 10.23 0.64 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 112.423 0.527 . . . . 1.3 112.423 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 57.08 31.46 20.0 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 113.003 0.742 . . . . 1.67 113.003 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -134.53 137.62 43.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.656 0.383 . . . . 2.4 110.962 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.06 66.66 0.76 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.192 -0.458 . . . . 1.43 110.221 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -61.71 161.01 10.66 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.67 -0.863 . . . . 2.2 108.67 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -22.89 64.81 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.294 0.952 . . . . 1.47 113.38 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.85 -33.19 60.01 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.345 0.521 . . . . 1.32 109.634 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.5 -39.03 16.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.142 0.577 . . . . 0.93 110.235 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -68.05 -18.53 64.71 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.076 . . . . 0.75 110.439 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -41.96 -37.74 1.41 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.792 1.637 . . . . 1.87 113.579 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -67.38 -30.95 70.87 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.508 0.558 . . . . 2.72 112.508 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 tp -77.07 -29.77 55.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.166 0.439 . . . . 0.62 110.538 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -62.01 -40.73 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.15 0.58 . . . . 1.18 110.23 178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.49 -32.55 71.53 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 111.821 -0.512 . . . . 0.44 111.821 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.6 -7.42 59.51 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.943 0.497 . . . . 0.91 111.694 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -51.85 8.85 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 122.952 0.501 . . . . 0.89 110.854 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.43 40.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.759 0.651 . . . . 1.12 112.759 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -67.83 -40.21 83.78 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 117.982 0.356 . . . . 1.54 110.77 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -75.32 -20.89 58.82 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.518 0.562 . . . . 1.68 112.518 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.95 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.523 0.601 . . . . 0.92 111.468 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 4.11 15.21 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.183 0.808 . . . . 2.09 113.183 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -168.33 67.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.787 0.721 . . . . 1.96 112.429 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -84.57 -38.08 20.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.48 -0.327 . . . . 2.66 110.286 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -136.07 80.39 1.82 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.45 -0.944 . . . . 1.65 108.45 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -85.42 59.29 5.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.24 0.543 . . . . 1.72 112.073 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 tp -171.89 -49.62 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.701 -0.681 . . . . 1.56 110.065 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -76.98 -45.76 26.3 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.515 0.326 . . . . 1.86 110.506 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pp -133.63 108.1 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 122.905 0.482 . . . . 1.25 110.319 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -113.66 37.23 3.31 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.004 0.372 . . . . 2.97 112.004 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.37 90.13 0.27 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.399 0.518 . . . . 2.3 112.399 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 2.1 110.098 178.237 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.291 0.567 . . . . 3.15 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.46 131.32 17.07 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.628 -0.715 . . . . 1.19 110.813 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.7 113.16 24.7 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.153 0.283 . . . . 1.01 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -117.24 135.7 23.21 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.613 0.365 . . . . 1.02 110.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.39 131.63 15.3 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.73 2.287 . . . . 0.95 113.7 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -123.93 -61.82 1.34 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.191 0.596 . . . . 1.29 110.147 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -115.98 159.41 21.66 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.922 -0.769 . . . . 1.34 108.922 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.83 -38.25 72.37 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.258 0.466 . . . . 1.42 112.258 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.0 mt -71.55 -37.24 71.12 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.644 0.202 . . . . 0.77 111.118 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.71 -29.9 63.75 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.825 -0.435 . . . . 1.03 109.825 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.16 -32.62 73.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 123.802 0.841 . . . . 0.81 111.474 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -57.2 -55.46 34.47 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.167 0.432 . . . . 1.04 112.167 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.51 -26.02 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 111.801 0.297 . . . . 1.07 111.801 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.38 -42.08 88.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.992 0.517 . . . . 1.0 111.258 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.5 m -63.09 -27.1 69.16 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.615 0.598 . . . . 1.16 112.615 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 t -69.12 -32.71 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 122.357 0.263 . . . . 0.64 111.11 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.1 t -84.95 -47.89 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.626 0.37 . . . . 0.95 111.098 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -62.43 -41.63 98.85 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.735 1.013 . . . . 0.93 113.735 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.11 -43.05 79.31 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.382 0.512 . . . . 0.76 112.382 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -107.91 46.47 0.95 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.772 0.32 . . . . 1.1 111.529 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -92.6 -48.37 6.64 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.581 -0.281 . . . . 3.79 110.95 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -33.16 64.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.992 0.367 . . . . 1.74 111.992 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -79.27 -36.91 39.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 122.554 0.342 . . . . 1.82 110.985 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.44 69.61 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.251 0.834 . . . . 1.0 113.251 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -83.75 1.45 42.75 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.86 0.689 . . . . 1.8 112.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -73.99 -43.5 57.86 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.151 0.432 . . . . 2.01 111.929 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -137.96 123.52 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.835 0.309 . . . . 1.59 111.835 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.37 106.22 0.04 OUTLIER Glycine 0 C--N 1.351 1.413 0 CA-C-O 119.737 -0.479 . . . . 1.2 114.045 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 50.34 -175.77 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.643 0.979 . . . . 3.16 113.643 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -99.89 -42.48 6.78 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.991 0.516 . . . . 1.46 112.021 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.71 47.18 0.89 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.023 0.439 . . . . 1.43 111.553 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 p -147.96 123.4 10.35 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 116.047 -0.524 . . . . 1.33 110.08 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.88 170.13 17.05 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.501 -0.318 . . . . 0.88 110.769 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -105.12 158.38 16.61 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.844 -0.428 . . . . 0.99 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -30.02 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.578 0.585 . . . . 0.73 112.578 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -91.69 -33.72 14.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.534 0.334 . . . . 0.92 111.806 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.77 -35.13 69.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.671 0.619 . . . . 1.54 112.671 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -37.88 70.16 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.223 0.465 . . . . 0.79 110.183 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -58.96 -33.87 71.14 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.488 0.715 . . . . 0.97 111.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.91 -37.17 70.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.583 0.353 . . . . 0.73 111.499 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.11 -32.28 73.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.973 0.509 . . . . 0.84 112.079 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.5 -34.04 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 122.558 0.343 . . . . 0.61 110.781 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 34.13 3.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.665 0.386 . . . . 0.8 111.633 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -147.49 -56.44 0.24 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.162 0.43 . . . . 1.41 112.162 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -120.51 -2.57 9.96 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.302 0.853 . . . . 0.97 113.302 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.07 42.24 0.59 Allowed Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 118.351 0.523 . . . . 0.85 112.213 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.11 -38.91 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.078 1.852 . . . . 0.52 114.092 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -67.06 -33.41 75.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.016 0.376 . . . . 0.98 112.016 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.39 -53.44 29.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.369 0.268 . . . . 1.12 110.555 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.5 mt -101.31 93.99 5.7 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.936 -0.764 . . . . 0.94 108.936 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.3 -36.91 69.2 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.577 0.954 . . . . 1.91 113.577 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -87.86 73.51 9.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.985 0.422 . . . . 2.08 110.517 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -77.63 -32.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.861 -0.609 . . . . 0.75 112.084 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.78 19.72 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-O 119.988 -0.34 . . . . 0.83 113.856 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -97.24 74.67 2.53 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.167 0.508 . . . . 1.26 110.944 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -8.15 52.97 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.764 -0.653 . . . . 1.59 111.005 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.35 -33.84 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.099 0.777 . . . . 0.77 113.099 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.56 -46.63 88.35 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 117.83 0.286 . . . . 1.09 111.013 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.58 -18.5 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.103 0.409 . . . . 1.92 112.103 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.9 ttp -69.18 -41.3 77.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.544 0.338 . . . . 1.09 111.278 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -59.14 -33.62 71.1 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 122.953 0.158 . . . . 3.13 111.124 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 m -70.05 -37.94 75.68 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 110.289 -0.263 . . . . 1.0 110.289 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.89 -49.23 66.26 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 110.272 -0.27 . . . . 0.96 110.272 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.43 63.68 2.15 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.368 -0.605 . . . . 1.39 109.368 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.84 -22.25 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.019 0 CA-C-N 116.062 -0.517 . . . . 0.82 112.367 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -85.61 -15.1 43.62 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.97 0.359 . . . . 1.74 111.97 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 60.89 73.75 0.47 Allowed 'General case' 0 C--N 1.361 1.078 0 C-N-CA 123.822 0.849 . . . . 2.45 111.831 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -149.12 15.96 0.93 Allowed 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 115.86 -0.609 . . . . 1.41 112.39 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 m 55.69 25.74 8.56 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 113.12 0.785 . . . . 1.61 113.12 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -123.35 152.45 41.48 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.711 0.404 . . . . 2.42 110.723 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -128.87 55.17 1.74 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.901 -0.59 . . . . 1.23 110.889 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -58.8 159.01 7.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.312 0.645 . . . . 2.35 110.717 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -28.05 66.53 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.524 0.602 . . . . 1.43 112.415 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.55 -24.79 62.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.512 0.325 . . . . 1.24 110.537 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.63 -32.32 10.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.708 0.803 . . . . 1.03 110.778 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -76.92 -15.2 59.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.789 0.836 . . . . 0.79 111.31 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -22.89 42.26 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.606 0.762 . . . . 1.98 112.033 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -64.02 -33.81 76.58 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.433 0.293 . . . . 2.48 110.95 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 tp -86.82 -36.07 18.72 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 119.504 -0.284 . . . . 0.59 110.74 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.2 -38.76 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 122.445 0.298 . . . . 0.91 110.257 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.28 -41.07 94.86 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 111.125 -0.79 . . . . 0.49 111.125 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.6 -26.07 64.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.652 0.381 . . . . 0.86 110.795 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.83 -48.43 76.83 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.591 -0.522 . . . . 0.95 109.591 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.0 -12.53 57.19 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.124 0.569 . . . . 1.12 112.522 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.632 0.373 . . . . 1.46 110.829 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -74.73 -11.24 60.12 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.411 0.523 . . . . 1.65 112.411 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -31.3 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 122.507 0.323 . . . . 0.93 111.427 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -39.83 3.15 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.316 0.858 . . . . 2.16 113.316 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -111.77 40.24 2.18 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.237 1.199 . . . . 1.87 114.237 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -68.1 -39.35 82.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.718 -0.475 . . . . 2.47 109.718 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -140.34 57.87 1.58 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.356 -0.979 . . . . 1.83 108.356 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.8 -25.24 68.14 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 113.263 0.838 . . . . 1.81 113.263 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -80.12 -36.23 35.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 111.801 0.297 . . . . 1.45 111.801 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -80.49 -45.99 16.6 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.838 0.455 . . . . 2.03 111.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 pt -125.24 154.37 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.22 0.608 . . . . 1.24 110.957 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -146.57 26.12 1.17 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 112.846 0.684 . . . . 2.8 112.846 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -169.73 93.04 0.24 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.488 0.315 . . . . 2.08 111.481 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.992 0.425 . . . . 1.94 110.407 179.164 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 121.306 0.574 . . . . 2.04 110.343 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 155.46 39.25 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.597 -0.729 . . . . 0.9 111.592 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.32 103.83 13.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.765 0.426 . . . . 1.0 111.336 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.63 137.16 21.61 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 122.688 0.395 . . . . 1.1 111.338 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.14 129.93 20.39 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.658 2.238 . . . . 1.08 112.85 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.77 -107.39 0.33 Allowed 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 118.966 -0.54 . . . . 1.32 110.345 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.6 p -93.32 -177.41 4.43 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 118.95 0.795 . . . . 1.51 110.357 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.24 -50.89 68.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.621 0.6 . . . . 1.51 112.621 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 111.742 0.275 . . . . 0.84 111.742 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.45 -34.12 72.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.575 0.35 . . . . 0.95 111.287 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -70.57 -26.7 63.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 122.317 0.247 . . . . 0.85 111.038 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -54.47 -59.83 4.16 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.695 0.398 . . . . 1.04 111.911 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.92 -30.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 123.021 0.201 . . . . 1.1 111.399 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -65.98 -34.11 77.35 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.161 0.584 . . . . 1.0 111.346 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 40.7 m -68.78 -29.47 67.85 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.372 0.269 . . . . 1.34 111.308 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.79 -33.75 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 110.072 -0.344 . . . . 0.78 110.072 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.64 -56.74 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 122.709 0.404 . . . . 0.97 110.196 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -52.66 -33.73 48.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.213 1.19 . . . . 0.88 114.213 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -77.53 -37.66 50.42 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.232 0.827 . . . . 0.75 113.232 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -122.94 27.05 7.86 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.998 1.11 . . . . 1.21 113.998 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -86.25 -31.45 21.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.644 -0.502 . . . . 3.66 109.644 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.0 m -58.64 -41.11 85.25 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 122.648 0.379 . . . . 1.51 110.3 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.9 -32.5 57.47 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.283 0.364 . . . . 1.82 110.25 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.37 73.8 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 122.925 0.49 . . . . 0.91 112.198 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -94.63 27.97 2.83 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.271 0.228 . . . . 2.05 111.541 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -91.12 -43.04 10.13 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.067 0.547 . . . . 1.91 110.085 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -101.07 -166.19 1.28 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.088 -0.708 . . . . 1.45 109.088 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.64 150.45 26.77 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 118.257 0.48 . . . . 1.1 113.265 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 64.77 134.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 3.19 111.647 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -78.11 -47.32 18.48 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.239 0.459 . . . . 1.24 112.239 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.8 60.71 2.97 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.831 0.348 . . . . 1.36 110.53 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -158.68 139.09 12.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.672 0.619 . . . . 1.36 112.672 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.0 125.1 41.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.365 -0.976 . . . . 0.9 108.365 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -68.01 166.42 15.89 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 111.953 0.353 . . . . 1.1 111.953 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -55.95 -37.25 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 112.77 0.656 . . . . 0.81 112.77 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -106.15 50.4 0.78 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.035 0.445 . . . . 0.95 110.537 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.42 -49.51 0.54 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.905 0.482 . . . . 1.61 110.814 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -68.16 -33.45 74.49 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.193 -0.299 . . . . 0.78 110.193 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -66.24 -38.8 88.74 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 122.541 0.337 . . . . 0.9 110.32 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.6 -35.28 75.17 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 110.035 -0.357 . . . . 0.69 110.035 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.8 tp -65.08 -42.46 94.07 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.744 0.418 . . . . 0.88 110.554 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 79.9 t -73.06 -25.18 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 O-C-N 123.331 0.394 . . . . 0.62 111.646 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -112.15 40.45 2.19 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 112.288 0.477 . . . . 0.83 112.288 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -160.32 -65.53 0.07 Allowed 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.948 -0.47 . . . . 1.3 111.35 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -106.59 -5.11 18.93 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.063 0.394 . . . . 0.84 112.063 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -135.39 42.64 0.78 Allowed Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 112.031 0.382 . . . . 0.88 112.031 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.42 -34.23 0.82 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 C-N-CA 122.589 2.193 . . . . 0.52 114.452 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.43 -13.88 60.42 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.868 0.692 . . . . 0.95 112.868 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.0 -59.09 2.92 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.904 0.32 . . . . 1.22 110.788 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.41 112.15 23.99 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.597 -0.89 . . . . 0.84 108.597 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -54.82 -35.88 64.39 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.986 0.735 . . . . 1.78 112.986 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.26 86.79 6.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.589 0.356 . . . . 1.94 110.158 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.95 -22.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.63 0.604 . . . . 0.7 112.63 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.0 -66.65 1.44 Allowed Glycine 0 C--N 1.351 1.406 0 CA-C-O 119.808 -0.44 . . . . 0.67 113.073 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -78.27 88.13 4.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.166 0.483 . . . . 1.26 111.212 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -98.24 -1.17 42.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.223 0.609 . . . . 1.59 111.899 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.34 -26.48 65.63 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.635 0.605 . . . . 0.73 112.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.96 -33.45 74.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.732 0.413 . . . . 1.1 110.613 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.26 -30.68 12.84 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.245 0.618 . . . . 1.93 110.826 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.5 ttp -52.6 -46.32 66.92 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.563 0.579 . . . . 1.04 112.563 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -66.31 -36.26 82.49 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 117.636 0.198 . . . . 3.0 111.163 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -69.43 -34.89 75.1 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.728 0.411 . . . . 1.0 110.683 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.58 -63.8 1.05 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 122.952 0.501 . . . . 0.97 111.081 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.74 82.23 6.79 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.969 0.414 . . . . 1.32 110.393 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.28 -31.2 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 115.841 -0.618 . . . . 0.83 112.441 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.34 -14.38 59.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.79 0.663 . . . . 1.65 112.79 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 61.58 59.75 1.78 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.664 0.785 . . . . 2.44 111.876 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -121.73 8.86 10.04 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.929 -0.578 . . . . 1.3 111.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t 70.56 -63.86 0.39 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.899 0.88 . . . . 1.67 111.693 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -70.67 120.21 15.95 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.578 0.351 . . . . 2.4 110.197 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tp -80.02 108.13 13.35 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.908 0.483 . . . . 1.43 111.828 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -78.39 167.84 20.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.804 -0.813 . . . . 2.2 108.804 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -29.5 70.16 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.793 0.724 . . . . 1.47 111.777 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.17 -30.92 69.23 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.717 -0.475 . . . . 1.32 109.717 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.15 -36.2 27.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.979 -0.378 . . . . 0.93 109.979 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -72.81 -16.35 61.62 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.454 0.701 . . . . 0.75 111.213 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -52.86 -31.03 37.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.939 1.296 . . . . 1.87 112.82 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -68.1 -31.25 70.73 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.019 0.378 . . . . 2.72 112.019 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.87 -36.74 30.94 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.645 -0.502 . . . . 0.62 109.645 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.31 -36.82 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.018 0.527 . . . . 1.18 110.386 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.55 57.05 Favored Glycine 0 C--N 1.355 1.627 0 N-CA-C 111.749 -0.54 . . . . 0.44 111.749 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.68 -26.37 60.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.901 0.481 . . . . 0.91 111.565 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mp -57.34 -50.68 72.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.188 0.595 . . . . 0.89 111.291 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.7 40.24 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.268 0.47 . . . . 1.12 112.268 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -78.87 -31.49 45.58 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.903 0.481 . . . . 1.54 111.726 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.81 -5.15 39.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.025 0.75 . . . . 1.68 113.025 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -45.46 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 118.571 0.623 . . . . 0.92 110.363 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.06 -42.01 33.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.46 0.304 . . . . 2.09 111.711 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -145.18 84.89 1.72 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.486 0.55 . . . . 1.96 112.486 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -38.81 65.0 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.982 -0.377 . . . . 2.66 109.982 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -121.99 78.79 1.51 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.248 -1.019 . . . . 1.65 108.248 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -75.92 68.15 2.39 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.431 0.634 . . . . 1.72 112.029 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -175.28 -46.53 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.326 -0.852 . . . . 1.56 110.467 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.94 -54.91 4.21 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.412 0.685 . . . . 1.86 111.5 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.27 137.57 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.69 0.396 . . . . 1.25 111.351 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -159.89 62.65 0.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 112.343 0.498 . . . . 2.97 112.343 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -171.01 47.73 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.975 0.51 . . . . 2.3 111.7 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.9 tttp . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.163 -0.922 . . . . 2.1 110.884 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 113.074 0.768 . . . . 3.15 113.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.62 152.39 30.42 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.976 0.353 . . . . 1.19 111.098 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.83 22.28 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.512 0.325 . . . . 1.01 111.266 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -99.95 139.59 20.89 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 122.96 0.504 . . . . 1.02 110.569 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.27 137.3 79.85 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 122.809 2.339 . . . . 0.95 114.063 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -137.68 -149.14 0.29 Allowed 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 123.387 0.675 . . . . 1.29 110.82 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -59.33 162.58 4.57 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 119.069 0.85 . . . . 1.34 111.546 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -44.24 -52.01 7.81 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.535 0.939 . . . . 1.42 113.535 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.48 -36.45 71.15 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 117.907 0.321 . . . . 0.77 111.823 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.24 -31.75 66.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.401 0.28 . . . . 1.03 111.234 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -78.8 -22.1 46.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.205 0.602 . . . . 0.81 111.752 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -61.4 -54.03 48.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.093 0.406 . . . . 1.04 110.347 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.18 -21.69 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 111.713 0.264 . . . . 1.07 111.713 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -75.03 -39.12 61.24 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.047 0.539 . . . . 1.0 111.302 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -63.87 -33.61 76.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.635 0.374 . . . . 1.16 111.384 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.56 -33.68 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 122.637 0.375 . . . . 0.64 110.142 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.6 t -74.49 -59.42 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.011 0.524 . . . . 0.95 110.565 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.6 p -51.18 -40.14 57.97 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.574 1.324 . . . . 0.93 114.574 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -72.14 -56.87 4.83 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.189 0.811 . . . . 0.76 113.189 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.08 -20.8 47.9 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.919 1.081 . . . . 1.1 113.919 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.03 -21.62 62.25 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 119.016 0.825 . . . . 3.79 112.417 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -68.37 -33.51 74.4 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.184 0.447 . . . . 1.74 110.574 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.63 -35.34 11.09 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.294 0.637 . . . . 1.82 111.356 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.61 53.81 1.92 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.867 0.467 . . . . 1.0 112.143 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -134.18 17.03 3.76 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.73 0.412 . . . . 1.8 111.677 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -112.47 -45.81 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.582 0.353 . . . . 2.01 111.412 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -90.82 97.78 11.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.592 0.357 . . . . 1.59 111.8 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.26 81.62 0.66 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 114.337 0.495 . . . . 1.2 114.337 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 58.31 173.8 0.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.929 0.892 . . . . 3.16 113.229 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -92.52 -43.49 9.13 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.072 0.549 . . . . 1.46 111.106 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.14 -30.91 70.15 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.37 0.419 . . . . 1.43 111.883 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -90.93 150.26 21.57 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 120.742 0.306 . . . . 1.33 111.476 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.1 168.84 10.21 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.882 -0.599 . . . . 0.88 110.575 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -95.44 166.67 11.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.643 0.377 . . . . 0.99 111.749 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.5 -37.24 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 116.287 -0.415 . . . . 0.73 111.244 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.41 -43.68 31.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.723 0.268 . . . . 0.92 111.723 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.32 -28.87 70.3 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.417 0.287 . . . . 1.54 111.626 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -66.95 -37.42 84.25 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 122.508 0.323 . . . . 0.79 110.288 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.33 -36.0 81.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.867 0.467 . . . . 0.97 111.156 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.18 -30.34 38.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.466 0.306 . . . . 0.73 111.494 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.72 -46.15 86.7 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.59 0.356 . . . . 0.84 110.823 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.42 -26.96 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 122.652 0.381 . . . . 0.61 111.656 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -102.79 32.6 3.58 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 112.223 0.453 . . . . 0.8 112.223 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -160.61 -63.71 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.738 -0.601 . . . . 1.41 112.36 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -100.07 -3.51 31.8 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.115 0.783 . . . . 0.97 113.115 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tt -142.07 57.35 6.59 Favored Pre-proline 0 CA--C 1.561 1.399 0 CA-C-N 118.014 0.37 . . . . 0.85 110.171 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -92.23 -63.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.845 2.364 . . . . 0.52 115.184 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -49.71 -33.16 15.17 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.962 1.097 . . . . 0.98 113.962 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -68.39 -54.23 18.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.299 0.24 . . . . 1.12 110.912 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.95 103.73 15.6 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.585 -0.894 . . . . 0.94 108.585 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -50.13 -37.19 33.15 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.335 1.235 . . . . 1.91 114.335 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -95.88 96.96 9.28 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 122.394 0.277 . . . . 2.08 111.64 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.73 -1.13 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 111.753 0.279 . . . . 0.75 111.753 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.89 -33.41 1.39 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 119.597 -0.557 . . . . 0.83 112.418 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.5 t -87.06 74.27 9.7 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 117.316 0.558 . . . . 1.26 110.782 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.78 49.16 0.81 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.774 0.43 . . . . 1.59 110.288 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.33 -43.11 4.19 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.383 -0.371 . . . . 0.77 111.232 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -72.34 -28.18 62.88 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.39 0.515 . . . . 1.09 112.39 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -89.79 -39.75 12.91 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.993 0.368 . . . . 1.92 111.993 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.1 ttp -60.26 -39.11 85.62 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.399 0.518 . . . . 1.09 112.399 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -68.38 -40.25 81.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.014 0.126 . . . . 3.13 111.17 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -69.65 -28.8 66.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.654 0.382 . . . . 1.0 111.619 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.1 mt -72.37 -64.68 0.9 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.425 0.29 . . . . 0.96 110.393 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -83.8 73.89 10.25 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.808 0.337 . . . . 1.39 110.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.39 -26.17 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 116.179 -0.464 . . . . 0.82 112.053 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -71.31 -23.38 61.93 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.51 0.324 . . . . 1.74 111.825 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 63.53 71.6 0.49 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 123.719 0.807 . . . . 2.45 111.369 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -144.08 12.15 1.59 Allowed 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.844 -0.616 . . . . 1.41 111.935 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 t 58.04 29.79 18.28 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 123.497 0.719 . . . . 1.61 112.459 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.23 114.41 8.24 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.024 0.53 . . . . 2.42 109.98 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.16 85.46 5.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.678 0.275 . . . . 1.23 111.074 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -68.27 162.39 25.18 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 108.15 -1.056 . . . . 2.35 108.15 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -22.74 65.68 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.558 1.072 . . . . 1.43 112.191 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.84 -32.52 65.54 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 109.674 -0.491 . . . . 1.24 109.674 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -87.25 -42.01 13.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.592 0.757 . . . . 1.03 110.224 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -62.44 -20.73 64.81 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.968 0.907 . . . . 0.79 110.967 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -39.79 -37.93 0.6 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.92 1.688 . . . . 1.98 113.64 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -61.36 -23.85 66.06 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.402 0.89 . . . . 2.48 113.402 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -90.41 -34.87 15.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.29 0.496 . . . . 0.59 111.291 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.62 -37.12 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 110.002 -0.37 . . . . 0.91 110.002 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.74 -34.44 77.95 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 111.713 -0.555 . . . . 0.49 111.713 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.31 -21.32 46.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.733 0.413 . . . . 0.86 111.086 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -52.02 66.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.197 0.599 . . . . 0.95 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.04 -22.7 52.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.069 0.396 . . . . 1.12 112.069 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.82 -44.68 55.02 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.946 -0.39 . . . . 1.46 109.946 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.64 -17.52 61.66 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 112.395 0.517 . . . . 1.65 112.395 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -32.65 58.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-N 118.184 0.447 . . . . 0.93 111.525 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -113.07 -37.84 4.66 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.827 0.677 . . . . 2.16 112.827 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -122.69 72.74 1.09 Allowed 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.735 0.302 . . . . 1.87 111.788 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -91.17 -42.6 10.35 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.859 -0.423 . . . . 2.47 109.859 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -127.62 61.31 1.41 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.535 0.734 . . . . 1.83 109.239 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.37 73.49 3.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.093 0.473 . . . . 1.81 111.387 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 tp -166.67 -54.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.912 -0.585 . . . . 1.45 110.888 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -95.86 -37.06 10.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.975 0.51 . . . . 2.03 111.427 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.95 143.14 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.549 0.339 . . . . 1.24 111.67 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -152.22 51.48 0.78 Allowed 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.009 0.433 . . . . 2.8 111.43 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -159.31 84.48 0.78 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.222 -0.444 . . . . 2.08 111.234 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 tttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 116.411 -0.359 . . . . 1.94 110.096 179.515 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 112.002 0.371 . . . . 2.04 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.76 149.48 22.28 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 122.801 0.441 . . . . 0.9 111.138 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.47 122.37 33.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.639 -0.255 . . . . 1.0 111.025 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -116.76 132.98 23.11 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 119.318 -0.373 . . . . 1.1 110.436 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.68 141.51 95.26 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.02 2.48 . . . . 1.08 113.496 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 mt -133.7 -97.81 0.27 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 119.243 -0.408 . . . . 1.32 111.277 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 m -95.79 162.68 13.49 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.445 0.566 . . . . 1.51 109.652 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.98 -42.19 62.75 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.925 0.713 . . . . 1.51 112.925 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.08 -40.27 46.71 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.694 0.225 . . . . 0.84 111.267 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.45 -26.26 62.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.311 0.244 . . . . 0.95 111.145 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.67 -24.6 49.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.233 0.613 . . . . 0.85 111.827 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -56.5 -57.16 13.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.555 0.342 . . . . 1.04 110.844 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -71.94 -21.34 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.03 0.207 . . . . 1.1 111.447 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.36 -41.63 80.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.225 0.61 . . . . 1.0 110.553 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -66.49 -33.3 75.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.28 0.363 . . . . 1.34 110.993 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.08 -32.94 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 122.85 0.46 . . . . 0.78 110.554 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.73 -60.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 122.84 0.456 . . . . 0.97 110.728 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -55.5 -34.41 64.59 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.859 1.059 . . . . 0.88 113.859 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -66.71 -46.41 75.62 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.018 0.377 . . . . 0.75 112.018 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.31 30.48 6.89 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.167 0.803 . . . . 1.21 113.167 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -82.28 -35.05 28.42 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.936 -0.477 . . . . 3.66 110.289 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -67.17 -34.24 77.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.419 0.688 . . . . 1.51 111.449 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -83.74 -33.32 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.602 0.361 . . . . 1.82 111.106 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.3 65.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.47 0.544 . . . . 0.91 112.47 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -78.35 -13.42 59.85 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.114 0.783 . . . . 2.05 113.114 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.89 -35.92 82.7 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 117.846 0.294 . . . . 1.91 111.789 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -106.5 -177.75 3.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.846 0.459 . . . . 1.45 110.881 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.44 125.75 0.94 Allowed Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.738 1.055 . . . . 1.1 115.738 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 64.87 140.41 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.25 1.02 . . . . 3.19 112.511 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -73.2 -42.83 62.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 116.078 -0.51 . . . . 1.24 111.531 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.18 50.85 1.42 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.045 0.45 . . . . 1.36 110.471 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.4 t -159.12 131.04 6.47 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 116.319 -0.401 . . . . 1.36 111.488 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.36 168.46 15.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.0 0.52 . . . . 0.9 110.875 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -102.04 166.24 10.73 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.558 0.343 . . . . 1.1 111.042 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.3 -24.21 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 112.445 0.535 . . . . 0.81 112.445 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -98.51 -32.8 11.28 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.686 0.395 . . . . 0.95 111.926 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.4 -31.55 60.47 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.992 0.738 . . . . 1.61 112.992 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -70.26 -35.51 73.83 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.251 0.478 . . . . 0.78 110.405 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -64.29 -37.16 86.52 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.234 0.614 . . . . 0.9 111.242 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.11 -31.91 72.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.775 0.43 . . . . 0.69 111.008 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -71.32 -32.65 68.84 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.81 0.444 . . . . 0.88 111.85 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 51.5 t -77.73 -28.16 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 119.465 -0.303 . . . . 0.62 111.474 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -99.03 2.81 46.57 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 113.023 0.749 . . . . 0.83 113.023 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -129.42 -59.04 1.1 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 112.685 0.624 . . . . 1.3 112.685 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.36 -8.65 21.87 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.847 1.054 . . . . 0.84 113.847 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.14 43.54 0.67 Allowed Pre-proline 0 CA--C 1.566 1.589 0 CA-C-N 118.374 0.534 . . . . 0.88 112.204 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -84.46 -32.35 0.38 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.368 2.045 . . . . 0.52 114.674 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -68.04 -33.28 74.29 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 111.991 0.367 . . . . 0.95 111.991 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 28.1 tp -69.83 -62.31 1.43 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.284 0.234 . . . . 1.22 111.385 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 67.3 mt -85.6 110.08 19.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 110.113 -0.329 . . . . 0.84 110.113 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.28 -36.52 53.1 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.227 0.825 . . . . 1.78 113.227 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.77 101.65 13.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.479 0.312 . . . . 1.94 110.771 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.96 -27.58 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 112.272 0.471 . . . . 0.7 112.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.75 -57.37 1.95 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-O 120.024 -0.32 . . . . 0.67 113.081 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -83.97 91.22 7.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.568 0.347 . . . . 1.26 111.188 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.02 8.14 36.59 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.281 -0.418 . . . . 1.59 111.435 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.08 -27.55 68.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.404 . . . . 0.73 111.691 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.3 -33.53 75.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.676 0.39 . . . . 1.1 110.764 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -98.29 -38.89 9.09 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 122.968 0.507 . . . . 1.93 111.762 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -57.78 -42.22 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 112.969 0.729 . . . . 1.04 112.969 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -62.44 -36.67 83.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.122 0.169 . . . . 3.0 111.4 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -81.58 -32.89 31.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.307 0.379 . . . . 1.0 111.006 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.91 -55.75 26.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.116 0.566 . . . . 0.97 111.485 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.85 71.83 9.45 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.262 -0.644 . . . . 1.32 109.262 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.98 -16.52 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 CA-C-N 115.603 -0.726 . . . . 0.83 112.706 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -92.85 -7.78 45.33 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 112.571 0.582 . . . . 1.65 112.571 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.65 38.1 27.59 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.318 0.647 . . . . 2.44 111.558 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.92 -2.88 13.47 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.5 t 64.85 23.29 12.63 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.356 0.662 . . . . 1.67 112.004 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -126.18 116.02 20.67 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.118 0.567 . . . . 2.4 109.508 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.76 70.03 3.44 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.998 0.428 . . . . 1.43 111.921 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -65.29 161.22 19.96 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 107.942 -1.132 . . . . 2.2 107.942 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.05 -24.05 22.98 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 119.528 1.058 . . . . 1.47 113.105 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -74.66 -41.99 59.31 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 109.818 -0.438 . . . . 1.32 109.818 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.06 -33.37 50.9 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.294 0.638 . . . . 0.93 110.265 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -75.68 -11.09 59.93 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.047 0.939 . . . . 0.75 111.626 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -47.15 -37.24 9.63 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.986 1.314 . . . . 1.87 113.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -58.88 -42.36 89.32 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.307 0.854 . . . . 2.72 113.307 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 tp -78.39 -23.92 46.56 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 111.961 0.356 . . . . 0.62 111.961 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.29 -38.88 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.546 0.338 . . . . 1.18 111.104 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.83 91.92 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 112.028 -0.429 . . . . 0.44 112.028 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.73 -26.08 62.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.065 0.546 . . . . 0.91 110.988 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -52.89 63.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.041 0.536 . . . . 0.89 111.024 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.15 -16.31 47.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.382 0.882 . . . . 1.12 113.382 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -80.44 -40.07 26.99 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.998 0.363 . . . . 1.54 111.35 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.27 -18.02 55.87 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.491 0.923 . . . . 1.68 113.491 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 118.416 0.553 . . . . 0.92 111.912 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 17.6 ptt-85 -93.11 -35.51 13.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.606 0.224 . . . . 2.09 111.606 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -149.81 92.17 1.88 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 111.971 0.36 . . . . 1.96 111.971 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -34.59 25.75 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.894 -0.41 . . . . 2.66 109.894 177.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -126.7 84.61 2.28 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.57 -0.9 . . . . 1.65 108.57 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.67 64.73 4.63 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.466 0.65 . . . . 1.72 112.005 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -174.29 -49.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.188 -0.914 . . . . 1.56 109.975 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.5 -50.25 11.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.301 0.64 . . . . 1.86 110.764 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.3 pt -116.97 138.74 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.179 0.591 . . . . 1.25 110.367 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -137.24 26.15 2.92 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.641 0.608 . . . . 2.97 112.641 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.25 97.16 0.6 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.427 0.291 . . . . 2.3 111.322 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.939 -1.029 . . . . 2.1 110.69 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 112.23 0.456 . . . . 3.15 112.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.53 124.42 19.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.853 0.461 . . . . 1.19 110.408 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.73 116.67 23.37 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.458 -0.337 . . . . 1.01 111.716 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -111.79 141.83 25.5 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.87 0.468 . . . . 1.02 110.825 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.89 136.84 33.66 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 122.802 2.335 . . . . 0.95 113.043 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.0 mt -130.11 -76.2 0.54 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.583 0.353 . . . . 1.29 111.591 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -113.55 166.29 11.66 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.287 0.635 . . . . 1.34 109.839 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.09 -42.01 72.33 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.742 0.645 . . . . 1.42 112.742 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.4 -36.13 60.91 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 111.653 0.242 . . . . 0.77 111.653 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -76.92 -27.35 54.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.671 0.389 . . . . 1.03 110.963 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.15 -34.03 68.2 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.027 0.531 . . . . 0.81 111.026 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -59.7 -52.62 64.73 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.907 0.321 . . . . 1.04 110.942 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.85 -24.06 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 111.647 0.239 . . . . 1.07 111.647 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.55 -35.08 46.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.012 0.525 . . . . 1.0 110.794 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -63.47 -38.84 92.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.688 0.395 . . . . 1.16 111.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.13 -32.3 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.33 0.252 . . . . 0.64 110.969 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -78.81 -52.9 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.447 0.299 . . . . 0.95 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.8 p -65.07 -25.44 67.81 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.657 1.354 . . . . 0.93 114.657 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -80.4 -42.56 22.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.441 0.904 . . . . 0.76 113.441 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -100.58 -23.02 14.77 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.237 1.199 . . . . 1.1 114.237 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.57 -13.25 61.9 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.185 0.902 . . . . 3.79 113.068 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 m -67.3 -30.0 69.74 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 110.068 -0.345 . . . . 1.74 110.068 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.78 -27.68 13.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.321 0.648 . . . . 1.82 111.158 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.26 66.96 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.144 0.424 . . . . 1.0 112.144 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -65.61 -19.93 66.11 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.147 0.425 . . . . 1.8 112.147 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.01 -44.08 66.99 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.215 0.606 . . . . 2.01 111.87 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.66 -178.66 5.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.44 0.296 . . . . 1.59 110.31 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.33 147.93 12.46 Favored Glycine 0 C--N 1.357 1.71 0 N-CA-C 114.36 0.504 . . . . 1.2 114.36 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 64.94 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.06 0.944 . . . . 3.16 111.809 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -84.92 -40.05 17.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.392 -0.367 . . . . 1.46 111.206 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.51 -15.62 56.27 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 112.638 0.607 . . . . 1.43 112.638 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -90.35 144.4 25.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.482 0.549 . . . . 1.33 112.482 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.22 144.97 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.548 -0.751 . . . . 0.88 109.36 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.9 t -70.01 152.89 43.89 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.071 0.397 . . . . 0.99 112.071 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.33 -24.5 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 N-CA-C 112.597 0.592 . . . . 0.73 112.597 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -96.29 -26.52 15.36 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.152 0.427 . . . . 0.92 112.152 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.83 -33.16 27.22 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.089 0.774 . . . . 1.54 113.089 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -66.18 -33.49 75.89 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.165 0.439 . . . . 0.79 110.843 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -67.31 -35.8 80.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.871 0.468 . . . . 0.97 110.416 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.95 -34.04 64.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.74 0.416 . . . . 0.73 110.624 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.85 -40.65 83.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.902 0.481 . . . . 0.84 111.149 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.95 -19.34 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.648 0.379 . . . . 0.61 111.563 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -107.96 13.27 26.31 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 112.055 0.391 . . . . 0.8 112.055 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -138.22 -56.68 0.65 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.064 0.393 . . . . 1.41 111.858 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -98.69 -17.69 18.43 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.809 0.67 . . . . 0.97 112.809 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.45 47.99 3.19 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-N 118.015 0.37 . . . . 0.85 111.327 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -84.41 -34.84 0.22 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 122.567 2.178 . . . . 0.52 115.229 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -70.12 -35.32 74.02 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.882 0.697 . . . . 0.98 112.882 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.05 -69.36 0.3 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.571 0.348 . . . . 1.12 111.534 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.99 100.52 11.11 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.734 -0.469 . . . . 0.94 109.734 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -38.38 56.56 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.701 1.0 . . . . 1.91 113.701 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.23 73.59 10.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.811 0.339 . . . . 2.08 110.55 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.15 -33.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 116.441 -0.345 . . . . 0.75 111.155 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.95 -40.89 6.48 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 119.83 -0.428 . . . . 0.83 112.614 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -88.59 71.05 8.9 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 121.306 0.574 . . . . 1.26 109.769 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 2.49 30.89 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.401 -0.818 . . . . 1.59 110.98 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.48 -30.38 71.51 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.383 0.512 . . . . 0.77 112.383 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.12 -45.06 95.14 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.546 0.338 . . . . 1.09 110.868 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -84.59 -33.35 23.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.357 0.263 . . . . 1.92 111.217 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.3 ttp -54.75 -36.99 65.39 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.769 0.427 . . . . 1.09 111.987 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.46 -40.56 35.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.094 0.246 . . . . 3.13 110.998 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -66.53 -31.86 72.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.791 0.436 . . . . 1.0 111.794 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.6 -59.98 3.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.091 0.556 . . . . 0.96 111.351 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.09 80.44 9.18 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.209 0.528 . . . . 1.39 109.9 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.94 -28.68 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 115.658 -0.701 . . . . 0.82 111.933 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -86.82 -27.07 23.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.605 0.362 . . . . 1.74 111.522 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 58.77 84.06 0.11 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 123.694 0.798 . . . . 2.45 111.649 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -117.09 -70.63 0.78 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.02 -0.536 . . . . 1.41 109.779 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 m -164.43 -55.6 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.204 0.602 . . . . 1.61 110.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.37 175.31 5.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.205 0.602 . . . . 2.42 110.772 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.0 99.67 10.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.961 0.504 . . . . 1.23 111.523 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.44 162.7 19.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.487 -0.931 . . . . 2.35 108.487 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.62 -29.14 69.05 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.515 1.052 . . . . 1.43 112.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.94 -28.26 64.36 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 110.115 -0.328 . . . . 1.24 110.115 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.25 -43.31 11.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.357 0.663 . . . . 1.03 110.549 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -68.36 -17.53 64.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.707 0.803 . . . . 0.79 112.187 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -53.74 -25.05 16.95 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.259 1.023 . . . . 1.98 113.319 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.8 mmm-85 -66.6 -25.07 66.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.22 0.464 . . . . 2.48 111.698 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.0 tp -93.55 -25.89 17.37 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 122.826 0.451 . . . . 0.59 110.295 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.48 -37.71 80.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 122.79 0.436 . . . . 0.91 109.954 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.5 -41.64 57.44 Favored Glycine 0 C--N 1.357 1.717 0 N-CA-C 111.563 -0.615 . . . . 0.49 111.563 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.94 -22.73 65.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.62 0.368 . . . . 0.86 110.676 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -49.21 77.33 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.005 0.522 . . . . 0.95 110.664 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.76 42.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.645 0.609 . . . . 1.12 112.645 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -87.42 -37.38 17.08 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 117.977 0.353 . . . . 1.46 111.226 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -87.18 -7.75 57.62 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.196 0.443 . . . . 1.65 112.196 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -66.61 -38.72 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 118.094 0.406 . . . . 0.93 111.297 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.33 -30.13 9.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.791 0.663 . . . . 2.16 112.791 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -134.04 65.72 1.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.716 0.636 . . . . 1.87 112.716 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.36 59.2 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.818 -0.438 . . . . 2.47 109.818 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -137.34 70.51 1.4 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.599 0.76 . . . . 1.83 108.957 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.2 72.1 3.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.508 0.67 . . . . 1.81 111.181 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tp -171.04 -48.4 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.218 -0.901 . . . . 1.45 110.416 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -89.93 -54.17 4.16 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.855 0.462 . . . . 2.03 110.604 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.2 pt -113.92 125.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.034 0.534 . . . . 1.24 109.803 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -142.74 40.38 1.54 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.401 0.519 . . . . 2.8 112.401 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -152.74 69.27 0.85 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.959 0.409 . . . . 2.08 111.967 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 tttp . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 122.829 0.452 . . . . 1.94 109.973 179.2 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.165 0.431 . . . . 2.04 112.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.03 161.48 13.7 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.433 0.293 . . . . 0.9 111.501 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.436 ' HB3' ' HG2' ' B' ' 14' ' ' GLU . . . -93.86 125.01 38.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.612 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -120.45 141.5 32.14 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.589 . . . . 1.1 110.038 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.2 141.32 49.22 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 123.038 2.492 . . . . 1.08 114.29 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -136.26 -128.46 0.15 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 119.011 -0.518 . . . . 1.32 110.324 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -80.12 161.97 25.01 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.163 0.892 . . . . 1.51 110.871 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -41.43 -48.69 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.124 1.157 . . . . 1.51 114.124 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.6 -41.21 63.15 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 111.778 0.288 . . . . 0.84 111.778 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.82 -37.34 79.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.954 0.502 . . . . 0.95 111.427 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.38 -32.79 74.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.412 0.685 . . . . 0.85 112.406 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -63.04 -55.23 27.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.946 0.339 . . . . 1.04 110.669 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.59 -18.07 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 111.88 0.326 . . . . 1.1 111.88 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' B' ' 3' ' ' ALA . 7.4 tm-20 -78.53 -40.47 34.99 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.364 0.666 . . . . 1.0 110.74 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -63.59 -34.7 78.39 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.014 0.376 . . . . 1.34 112.014 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.08 -32.12 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.284 0.234 . . . . 0.78 110.979 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.46 -53.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 122.896 0.478 . . . . 0.97 110.759 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -63.29 -28.08 69.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.501 1.297 . . . . 0.88 114.501 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -71.42 -49.37 42.49 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.911 0.708 . . . . 0.75 112.911 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -90.09 -19.64 24.1 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.422 0.897 . . . . 1.21 113.422 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.5 -21.17 66.6 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 118.93 0.786 . . . . 3.66 112.656 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -62.96 -31.12 72.16 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.713 0.405 . . . . 1.51 111.252 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.64 -27.39 13.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.914 0.486 . . . . 1.82 111.804 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.24 61.19 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.517 0.562 . . . . 0.91 112.517 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -59.59 -32.09 70.07 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.922 0.712 . . . . 2.05 112.922 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -58.88 -33.69 70.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.937 0.718 . . . . 1.91 112.937 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -89.98 176.58 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.343 0.257 . . . . 1.45 110.776 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.74 142.58 45.75 Favored Glycine 0 C--N 1.356 1.654 0 N-CA-C 113.958 0.343 . . . . 1.1 113.958 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.45 114.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.001 0.92 . . . . 3.19 112.01 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -62.48 -40.26 96.11 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.421 0.288 . . . . 1.24 111.562 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.15 -27.61 63.67 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 111.804 0.298 . . . . 1.36 111.804 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -83.19 147.22 28.16 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 112.228 0.455 . . . . 1.36 112.228 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.33 151.08 23.87 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.41 -0.814 . . . . 0.9 109.967 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.5 t -74.16 158.78 33.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.526 0.331 . . . . 1.1 111.535 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.46 -19.39 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 112.256 0.465 . . . . 0.81 112.256 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.45 -42.59 6.54 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.611 0.365 . . . . 0.95 111.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.32 -36.99 82.59 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.577 0.584 . . . . 1.61 112.577 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.6 -37.12 84.22 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 117.953 0.342 . . . . 0.78 110.249 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.297 0.639 . . . . 0.9 110.274 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 -28.92 63.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.821 0.448 . . . . 0.69 111.197 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.6 -36.58 84.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.824 0.45 . . . . 0.88 110.667 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 67.9 t -74.72 -30.09 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 122.621 0.368 . . . . 0.62 111.171 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.35 27.77 4.51 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.447 0.299 . . . . 0.83 111.769 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -154.65 -52.79 0.09 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 112.282 0.475 . . . . 1.3 112.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -112.83 -6.42 13.82 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.584 0.957 . . . . 0.84 113.584 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.442 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.9 OUTLIER -137.71 39.11 0.39 Allowed Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 118.449 0.568 . . . . 0.88 112.244 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.38 -33.81 2.32 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.232 1.954 . . . . 0.52 114.309 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -72.11 -30.1 64.73 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.319 0.489 . . . . 0.95 112.319 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.26 -53.49 16.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 117.524 0.147 . . . . 1.22 110.947 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.0 102.72 14.54 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.135 -0.691 . . . . 0.84 109.135 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -34.11 67.8 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.945 0.721 . . . . 1.78 112.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -93.1 83.17 4.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.745 0.418 . . . . 1.94 110.104 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -86.29 -30.99 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 116.179 -0.464 . . . . 0.7 111.97 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.42 -55.84 8.32 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.825 -0.431 . . . . 0.67 113.46 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 43.6 t -88.55 69.11 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.19 0.519 . . . . 1.26 111.035 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -76.53 -21.19 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.998 -0.546 . . . . 1.59 111.146 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.62 -25.7 53.87 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.655 0.983 . . . . 0.73 113.655 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.26 -38.14 79.36 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 117.754 0.252 . . . . 1.1 111.072 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -94.91 -37.16 11.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.745 0.418 . . . . 1.93 110.572 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 40.9 ttp -49.79 -43.25 48.23 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.527 0.731 . . . . 1.04 112.76 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -67.01 -35.02 79.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.181 0.192 . . . . 3.0 111.199 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -73.47 -25.95 60.7 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.616 0.367 . . . . 1.0 111.615 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 60.1 mt -74.65 -66.03 0.79 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 122.55 0.34 . . . . 0.97 110.833 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.5 76.43 4.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 109.779 -0.452 . . . . 1.32 109.779 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -81.69 -29.79 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 115.89 -0.595 . . . . 0.83 111.719 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -74.47 -26.96 60.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.805 0.298 . . . . 1.65 111.805 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 67.24 72.22 0.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.804 0.842 . . . . 2.44 111.097 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -140.05 15.09 2.45 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.438 -0.801 . . . . 1.3 111.745 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 57.53 26.1 12.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.331 0.652 . . . . 1.67 112.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -143.09 121.28 12.2 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.361 -0.607 . . . . 2.4 109.361 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -95.33 86.9 4.65 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.281 0.363 . . . . 1.43 110.901 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -66.14 171.41 4.68 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.842 -0.799 . . . . 2.2 108.842 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.61 -23.51 66.84 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.402 1.001 . . . . 1.47 111.677 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -73.69 -32.02 63.72 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.346 -0.613 . . . . 1.32 109.346 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.73 -47.27 13.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 123.254 0.621 . . . . 0.93 109.663 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -67.71 -16.84 64.34 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.639 0.775 . . . . 0.75 111.833 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -50.89 -34.58 28.89 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.35 1.06 . . . . 1.87 112.694 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -64.45 -32.32 73.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.382 -0.342 . . . . 2.72 111.846 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -81.43 -30.82 33.39 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 119.389 -0.339 . . . . 0.62 110.584 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.07 -38.96 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 109.317 -0.623 . . . . 1.18 109.317 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.71 80.77 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 111.759 -0.537 . . . . 0.44 111.759 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -72.56 -22.89 60.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.622 0.369 . . . . 0.91 111.692 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -52.75 39.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.755 0.422 . . . . 0.89 110.365 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.52 -18.57 58.65 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.295 0.48 . . . . 1.12 112.295 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -84.8 -35.6 22.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.967 0.507 . . . . 1.54 111.452 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -92.85 38.84 1.03 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 111.926 0.343 . . . . 1.68 111.926 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -44.37 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.629 0.371 . . . . 0.92 110.601 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 -36.02 9.41 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.71 0.404 . . . . 2.09 111.842 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -120.5 43.07 2.83 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 111.799 0.296 . . . . 1.96 111.799 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -62.87 -44.18 96.8 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 122.474 -0.141 . . . . 2.66 111.34 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -124.21 72.57 1.18 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.217 -0.66 . . . . 1.65 109.217 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.27 70.44 5.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.478 0.656 . . . . 1.72 110.712 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -167.55 -49.72 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.36 -0.837 . . . . 1.56 110.694 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -99.48 -49.04 4.56 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.092 0.557 . . . . 1.86 111.178 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -120.32 127.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.892 0.477 . . . . 1.25 111.285 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -134.76 35.2 3.13 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.084 0.402 . . . . 2.97 112.084 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -162.85 108.62 1.16 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.753 0.311 . . . . 2.3 111.565 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.293 -0.861 . . . . 2.1 110.079 179.408 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.465 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.434 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 N-CA-C 112.769 0.655 . . . . 3.15 112.769 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.28 150.06 50.22 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.923 0.489 . . . . 1.19 110.432 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.46 129.45 38.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.367 0.267 . . . . 1.01 111.529 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.49 135.97 14.29 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 122.957 0.503 . . . . 1.02 110.464 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.13 143.15 25.32 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.391 2.061 . . . . 0.95 113.688 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.61 -62.0 0.71 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.908 0.483 . . . . 1.29 110.924 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -111.64 164.87 12.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.677 0.791 . . . . 1.34 110.224 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.89 -43.5 94.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.416 0.525 . . . . 1.42 112.416 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -72.86 -29.98 63.62 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.623 0.231 . . . . 0.77 111.623 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.78 -40.99 65.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.603 -0.518 . . . . 1.03 109.603 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.33 -27.88 69.62 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.998 0.519 . . . . 0.81 111.741 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -61.79 -42.77 99.43 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.29 0.236 . . . . 1.04 111.367 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -93.61 -17.02 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.179 0.437 . . . . 1.07 112.179 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -81.23 -39.89 24.66 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.119 0.568 . . . . 1.0 111.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.7 m -61.55 -31.86 71.91 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.562 0.345 . . . . 1.16 111.462 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.49 -31.03 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 C-N-CA 122.506 0.322 . . . . 0.64 110.49 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.11 -65.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 123.145 0.578 . . . . 0.95 110.984 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -55.11 -34.01 63.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.93 114.805 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -72.97 -46.84 50.08 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.113 0.783 . . . . 0.76 113.113 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.91 -22.29 17.52 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.031 1.123 . . . . 1.1 114.031 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.8 -21.54 56.4 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.279 0.945 . . . . 3.79 112.629 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.4 m -64.49 -35.73 81.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 110.154 -0.313 . . . . 1.74 110.154 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -91.22 -32.64 15.7 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.989 0.516 . . . . 1.82 110.76 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.31 -18.18 61.8 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.435 0.902 . . . . 1.0 113.435 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -86.15 10.3 14.89 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.158 0.799 . . . . 1.8 113.158 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -80.43 -36.8 33.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.707 0.403 . . . . 2.01 112.004 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.78 -175.02 3.16 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.759 0.424 . . . . 1.59 111.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.76 140.55 25.67 Favored Glycine 0 C--N 1.363 2.035 0 N-CA-C 114.37 0.508 . . . . 1.2 114.37 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? 64.76 120.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.259 1.024 . . . . 3.16 110.597 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -71.36 -27.79 63.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 111.911 0.337 . . . . 1.46 111.911 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -98.03 54.73 1.13 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.583 0.353 . . . . 1.43 110.701 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -157.17 152.76 26.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.202 0.445 . . . . 1.33 112.202 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.42 124.04 48.88 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.369 -0.604 . . . . 0.88 109.369 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.2 t -59.79 153.72 19.96 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.204 0.446 . . . . 0.99 112.204 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.91 -28.36 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 112.628 0.603 . . . . 0.73 112.628 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.79 -22.53 18.01 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.469 0.544 . . . . 0.92 112.469 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.97 -30.41 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.601 0.593 . . . . 1.54 112.601 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 -36.87 68.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.781 0.264 . . . . 0.79 111.121 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.53 -40.16 95.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.231 0.612 . . . . 0.97 111.389 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.33 -29.06 63.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.875 0.47 . . . . 0.73 111.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.91 -36.99 83.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.483 0.313 . . . . 0.84 110.708 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.94 -25.41 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 C-N-CA 122.77 0.428 . . . . 0.61 111.08 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -103.55 27.36 7.47 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 112.434 0.531 . . . . 0.8 112.434 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -153.12 -63.37 0.15 Allowed 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.704 -0.623 . . . . 1.41 112.118 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -99.03 -6.96 27.55 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.44 0.533 . . . . 0.97 112.44 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.6 47.47 1.14 Allowed Pre-proline 0 CA--C 1.564 1.487 0 CA-C-N 118.149 0.431 . . . . 0.85 111.801 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -86.87 -34.6 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.381 0 C-N-CA 122.404 2.069 . . . . 0.52 115.469 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.44 -19.93 60.22 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.703 0.631 . . . . 0.98 112.703 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -74.13 -56.5 4.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.648 0.379 . . . . 1.12 110.787 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.48 117.93 31.28 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.649 -0.5 . . . . 0.94 109.649 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -63.01 -29.56 70.92 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.378 0.51 . . . . 1.91 112.378 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -97.54 92.97 6.18 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 110.047 -0.353 . . . . 2.08 110.047 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.6 m -97.78 -36.94 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.06 0.392 . . . . 0.75 112.06 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.66 -51.75 6.98 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 119.886 -0.397 . . . . 0.83 112.98 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -87.96 75.84 8.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.038 0.446 . . . . 1.26 110.194 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 0.64 57.24 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.883 -0.599 . . . . 1.59 112.167 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.01 -27.59 67.55 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.096 0.776 . . . . 0.77 113.096 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.79 -43.11 89.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 111.562 0.208 . . . . 1.09 111.562 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.64 -33.02 20.25 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.574 -0.251 . . . . 1.92 110.973 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.7 ttp -58.53 -39.91 81.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.874 0.47 . . . . 1.09 112.181 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -67.59 -35.73 79.53 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 122.923 0.14 . . . . 3.13 111.077 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.4 m -67.79 -35.79 79.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.331 0.252 . . . . 1.0 110.922 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.7 mt -69.94 -53.89 15.82 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.891 0.477 . . . . 0.96 111.189 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.51 77.83 7.28 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 121.215 0.531 . . . . 1.39 110.37 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 p -91.12 -35.89 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.44 -0.8 . . . . 0.82 111.605 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.46 -19.56 52.85 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 111.889 0.329 . . . . 1.74 111.889 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 66.41 56.97 0.74 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.682 0.793 . . . . 2.45 111.614 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.28 19.07 12.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.037 0.384 . . . . 1.41 112.037 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 t 70.34 -66.71 0.27 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.848 0.859 . . . . 1.61 111.844 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.77 133.75 44.66 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.922 0.328 . . . . 2.42 111.15 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -88.87 95.09 10.16 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.936 -0.575 . . . . 1.23 110.396 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -66.56 158.36 29.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 108.982 -0.747 . . . . 2.35 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -27.9 63.67 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.7 0.682 . . . . 1.43 112.602 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -69.65 -34.44 74.0 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.775 -0.454 . . . . 1.24 109.775 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.95 -36.11 25.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.08 0.552 . . . . 1.03 110.253 177.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -69.77 -13.19 62.16 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.571 0.748 . . . . 0.79 111.979 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -24.13 22.7 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.641 0.776 . . . . 1.98 112.879 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.9 mmm-85 -70.82 -26.76 63.44 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 118.448 0.567 . . . . 2.48 111.733 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -93.99 -32.53 13.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.99 0.516 . . . . 0.59 110.389 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.8 mm -57.0 -38.5 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 109.557 -0.535 . . . . 0.91 109.557 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.46 81.87 Favored Glycine 0 C--N 1.355 1.611 0 N-CA-C 111.463 -0.655 . . . . 0.49 111.463 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.39 -34.04 77.38 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 0.86 111.34 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.93 -43.32 93.15 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 110.08 -0.341 . . . . 0.95 110.08 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -31.08 59.91 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.072 -0.513 . . . . 1.12 112.367 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -36.58 24.03 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.089 0.774 . . . . 1.46 113.089 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.34 33.99 0.75 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.096 0.776 . . . . 1.65 113.096 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.58 -36.34 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 122.595 0.358 . . . . 0.93 111.142 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.47 -37.83 4.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.026 0.751 . . . . 2.16 113.026 -178.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -119.37 47.31 1.72 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.598 0.592 . . . . 1.87 112.598 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -36.25 78.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.487 -0.324 . . . . 2.47 110.834 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.48 51.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.341 0.656 . . . . 1.83 109.645 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.59 -33.56 9.99 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.384 1.253 . . . . 1.81 114.384 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.0 tp -78.24 -40.46 37.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.609 0.225 . . . . 1.45 111.609 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -80.99 -66.17 0.92 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.625 0.37 . . . . 2.03 111.183 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 pt -121.73 130.84 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.652 0.381 . . . . 1.24 110.622 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -130.76 42.34 3.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.631 0.604 . . . . 2.8 112.631 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -156.21 100.56 2.01 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.486 0.314 . . . . 2.08 110.647 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.9 tttp . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 116.533 -0.303 . . . . 1.94 110.584 -179.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 112.685 0.624 . . . . 2.04 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 146.96 25.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.613 0.365 . . . . 0.9 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.59 35.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.946 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.62 138.3 31.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-O 119.259 -0.401 . . . . 1.1 111.385 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.31 114.3 2.62 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.666 2.244 . . . . 1.08 112.74 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.51 -153.22 0.52 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.996 0.518 . . . . 1.32 110.288 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -61.28 161.21 9.33 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.705 0.684 . . . . 1.51 111.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -37.84 -58.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.971 1.471 . . . . 1.51 114.971 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.22 -29.47 66.3 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.587 0.63 . . . . 0.84 112.26 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -79.24 -27.57 42.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.617 0.367 . . . . 0.95 110.954 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.98 -25.57 29.91 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.486 0.714 . . . . 0.85 111.426 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -61.49 -48.07 82.74 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.48 0.312 . . . . 1.04 110.999 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.47 -21.33 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 122.47 0.308 . . . . 1.1 111.338 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -72.45 -34.1 67.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.15 0.58 . . . . 1.0 111.429 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -56.32 -30.93 63.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.758 0.423 . . . . 1.34 111.89 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.86 -28.5 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.918 0.487 . . . . 0.78 110.847 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.92 35.43 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.414 0 C-N-CA 123.084 0.554 . . . . 0.97 110.781 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -147.14 -47.88 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 122.112 -0.368 . . . . 0.88 111.787 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -69.26 -47.56 64.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.559 0.344 . . . . 0.75 111.744 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -100.58 -10.93 20.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.461 0.911 . . . . 1.21 113.461 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -60.34 -30.88 69.82 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 119.002 0.819 . . . . 3.66 112.085 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -64.6 -37.74 88.6 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.762 0.425 . . . . 1.51 111.333 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -84.6 -31.0 24.53 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.747 0.419 . . . . 1.82 111.155 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -31.97 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.562 0.579 . . . . 0.91 112.562 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -77.88 -11.62 59.91 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.019 0.748 . . . . 2.05 113.019 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.27 -33.32 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.01 0.368 . . . . 1.91 111.734 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -97.2 -170.55 2.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.953 0.501 . . . . 1.45 110.068 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.73 144.52 41.03 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 114.1 0.4 . . . . 1.1 114.1 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 65.69 141.34 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.24 1.016 . . . . 3.19 112.064 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -75.36 -53.32 8.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.054 -0.521 . . . . 1.24 111.487 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -92.87 57.69 2.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.656 0.382 . . . . 1.36 110.444 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -150.78 120.43 6.99 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 116.404 -0.362 . . . . 1.36 111.647 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.1 mp -89.03 129.59 35.64 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.347 -0.612 . . . . 0.9 109.347 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -66.79 153.18 44.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 111.877 0.325 . . . . 1.1 111.877 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.32 -28.7 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 112.486 0.551 . . . . 0.81 112.486 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -92.35 -34.59 14.13 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 111.719 0.266 . . . . 0.95 111.719 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.62 -33.15 73.54 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.636 0.606 . . . . 1.61 112.636 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -31.67 61.77 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.878 0.308 . . . . 0.78 111.013 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -64.48 -39.49 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.371 0.269 . . . . 0.9 110.741 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.83 -30.89 67.44 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.977 0.511 . . . . 0.69 110.601 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.8 tp -67.1 -35.67 80.28 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.089 0.556 . . . . 0.88 111.399 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.59 -34.02 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.543 0.337 . . . . 0.62 111.292 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -98.83 39.55 1.26 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.036 0.384 . . . . 0.83 112.036 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -163.66 -55.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.074 0.398 . . . . 1.3 112.074 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.75 -15.42 14.96 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.845 0.683 . . . . 0.84 112.845 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -135.44 44.02 1.03 Allowed Pre-proline 0 CA--C 1.56 1.359 0 N-CA-C 112.177 0.436 . . . . 0.88 112.177 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.34 -32.1 1.03 Allowed 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.949 1.766 . . . . 0.52 114.858 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -74.46 -32.73 62.68 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.777 0.658 . . . . 0.95 112.777 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.59 -55.11 9.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.299 0.239 . . . . 1.22 111.4 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.13 109.24 20.13 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.803 -0.443 . . . . 0.84 109.803 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -55.4 -35.48 65.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.922 0.712 . . . . 1.78 112.922 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -96.23 92.76 6.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.366 0.266 . . . . 1.94 110.427 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.9 m -87.51 -43.05 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.526 -0.306 . . . . 0.7 111.248 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.82 -17.67 50.81 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 119.621 -0.544 . . . . 0.67 113.464 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.4 t -104.91 43.97 1.06 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 117.367 0.584 . . . . 1.26 111.101 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.94 68.36 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.331 0.586 . . . . 1.59 109.537 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -119.92 -41.52 2.66 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.61 -0.723 . . . . 0.73 110.874 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.75 -37.28 83.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.308 0.243 . . . . 1.1 110.625 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -82.49 -34.21 28.08 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.514 0.326 . . . . 1.93 110.847 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.0 ttp -63.03 -37.84 88.79 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 112.121 0.415 . . . . 1.04 112.121 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.34 -38.23 71.64 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.148 0.179 . . . . 3.0 110.652 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -72.32 -26.56 61.99 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.168 0.293 . . . . 1.0 110.566 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.7 -63.57 1.05 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.622 0.769 . . . . 0.97 111.353 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.88 77.38 5.35 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 121.092 0.472 . . . . 1.32 110.346 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.03 -31.39 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 CA-C-N 116.015 -0.539 . . . . 0.83 111.449 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -70.62 -28.04 64.53 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.822 0.304 . . . . 1.65 111.822 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 62.29 77.65 0.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.595 0.758 . . . . 2.44 111.655 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -129.06 -70.62 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 1.3 110.603 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -177.43 -50.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.137 0.575 . . . . 1.67 111.277 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -113.52 148.17 36.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.816 0.446 . . . . 2.4 110.503 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.33 103.54 8.34 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.695 -0.23 . . . . 1.43 111.355 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -66.74 164.98 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.007 -0.738 . . . . 2.2 109.007 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -27.64 68.57 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.065 0.848 . . . . 1.47 111.684 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.03 -37.53 69.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 109.742 -0.466 . . . . 1.32 109.742 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.57 -33.39 41.78 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.76 0.424 . . . . 0.93 111.118 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -77.95 -9.78 59.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.736 0.414 . . . . 0.75 111.988 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -24.53 45.22 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.578 0.751 . . . . 1.87 111.935 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 63.6 mmt-85 -64.9 -42.1 95.04 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.918 0.487 . . . . 2.72 112.074 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -75.25 -30.74 60.58 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 119.516 -0.278 . . . . 0.62 111.457 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.7 mm -58.83 -38.34 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 109.671 -0.492 . . . . 1.18 109.671 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.49 -34.41 44.91 Favored Glycine 0 C--N 1.36 1.867 0 O-C-N 123.384 0.428 . . . . 0.44 112.032 177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.43 -31.55 67.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.989 0.516 . . . . 0.91 110.451 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.09 -48.9 79.8 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 123.386 0.674 . . . . 0.89 110.717 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.39 54.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.046 0.387 . . . . 1.12 112.046 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.67 -35.31 65.21 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.468 0.307 . . . . 1.54 111.58 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -100.09 37.34 1.66 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.838 0.455 . . . . 1.68 112.131 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.82 -39.81 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 122.841 0.457 . . . . 0.92 110.084 178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -36.21 4.65 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.177 0.436 . . . . 2.09 112.177 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -120.16 58.28 0.92 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 112.187 0.44 . . . . 1.96 112.187 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -34.23 38.8 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.326 -0.62 . . . . 2.66 109.326 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -138.05 63.14 1.55 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 108.661 -0.866 . . . . 1.65 108.661 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.17 -32.68 70.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.414 0.894 . . . . 1.72 113.414 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 tp -74.22 -36.9 63.98 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.137 0.421 . . . . 1.56 112.137 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -84.37 -41.96 16.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.757 0.423 . . . . 1.86 112.047 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.6 pt -135.63 157.2 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.798 0.439 . . . . 1.25 111.39 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.51 42.48 0.99 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 112.858 0.688 . . . . 2.97 112.858 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -177.04 115.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 111.734 0.272 . . . . 2.3 111.734 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 36.1 tttp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.08 -0.962 . . . . 2.1 110.701 179.118 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.458 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.503 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.925 0.713 . . . . 3.15 112.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.88 158.05 15.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.735 0.414 . . . . 1.19 110.325 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.03 122.4 44.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.821 0.304 . . . . 1.01 111.821 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.91 139.2 27.84 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.359 0.664 . . . . 1.02 110.408 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -85.49 140.24 7.21 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.562 2.175 . . . . 0.95 113.149 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 mt -133.57 -58.03 0.88 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.891 0.476 . . . . 1.29 111.201 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -107.23 157.99 17.47 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.328 0.651 . . . . 1.34 110.06 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.67 -44.97 81.92 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.866 0.466 . . . . 1.42 112.188 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.31 -31.52 67.53 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 119.719 -0.182 . . . . 0.77 111.48 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.37 -32.98 64.81 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.199 -0.297 . . . . 1.03 110.199 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.06 -26.7 64.13 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.6 0.36 . . . . 0.81 110.823 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -62.04 -42.55 99.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.5 0.32 . . . . 1.04 111.135 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -89.3 -13.58 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.098 0.407 . . . . 1.07 112.098 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.85 -43.23 16.86 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.723 0.409 . . . . 1.0 110.781 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -59.67 -34.22 72.56 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.017 0.527 . . . . 1.16 112.181 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.03 -26.17 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 C-N-CA 122.643 0.377 . . . . 0.64 111.156 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -82.54 -72.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 122.678 0.391 . . . . 0.95 111.904 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.2 p -50.58 -36.42 34.65 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.654 1.353 . . . . 0.93 114.654 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.6 m -64.84 -42.68 94.71 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.952 0.723 . . . . 0.76 112.952 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -102.78 -30.13 11.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.158 0.799 . . . . 1.1 113.158 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -63.51 -17.84 63.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.115 0.783 . . . . 3.79 113.115 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.5 m -62.71 -34.3 76.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.187 0.448 . . . . 1.74 110.372 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -97.95 -21.95 16.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.275 0.63 . . . . 1.82 111.545 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.18 -16.6 57.74 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.733 1.012 . . . . 1.0 113.733 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.32 6.98 34.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 113.281 0.845 . . . . 1.8 113.281 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -76.92 -31.17 56.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.751 0.42 . . . . 2.01 112.051 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -127.88 137.53 52.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.706 0.402 . . . . 1.59 111.557 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.76 92.04 0.01 OUTLIER Glycine 0 C--N 1.349 1.299 0 N-CA-C 116.093 1.197 . . . . 1.2 116.093 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? 58.82 169.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.009 1.114 . . . . 3.16 114.009 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -93.09 -33.53 14.03 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.88 -0.6 . . . . 1.46 112.006 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.5 67.36 2.87 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.629 0.372 . . . . 1.43 111.923 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 p -169.28 154.44 5.85 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.934 0.716 . . . . 1.33 112.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.21 141.78 33.6 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.629 -0.878 . . . . 0.88 108.629 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -79.89 143.85 33.92 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.839 0.291 . . . . 0.99 111.513 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.96 -26.0 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 N-CA-C 112.581 0.586 . . . . 0.73 112.581 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -87.02 -32.62 19.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.496 0.318 . . . . 0.92 111.044 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.42 -22.92 28.13 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.822 0.675 . . . . 1.54 112.822 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -35.37 80.22 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.367 0.531 . . . . 0.79 110.244 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.01 -41.96 63.72 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.978 0.511 . . . . 0.97 110.809 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.97 -34.38 77.98 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.05 0.219 . . . . 0.73 110.867 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.58 -38.68 92.06 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.634 0.374 . . . . 0.84 110.775 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.0 t -73.07 -31.94 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 122.763 0.425 . . . . 0.61 111.345 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.67 31.9 4.17 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 112.058 0.392 . . . . 0.8 112.058 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.36 -60.95 0.17 Allowed 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.923 -0.486 . . . . 1.41 111.919 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.23 1.41 18.63 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.778 0.658 . . . . 0.97 112.778 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.9 tp -142.22 47.83 0.99 Allowed Pre-proline 0 CA--C 1.561 1.397 0 CA-C-N 118.445 0.566 . . . . 0.85 111.787 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -83.3 -39.17 0.13 Allowed 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.19 1.927 . . . . 0.52 114.822 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -73.77 -21.6 60.12 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.791 0.663 . . . . 0.98 112.791 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -68.67 -52.76 27.58 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.995 0.368 . . . . 1.12 111.995 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.49 134.68 39.38 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 110.361 -0.237 . . . . 0.94 110.361 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -63.9 -31.47 72.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.719 0.266 . . . . 1.91 111.719 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -109.99 120.16 41.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.976 0.51 . . . . 2.08 109.924 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.07 -15.26 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.761 0.652 . . . . 0.75 112.761 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.15 -49.21 1.25 Allowed Glycine 0 C--N 1.353 1.502 0 CA-C-N 117.791 0.269 . . . . 0.83 113.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -86.86 77.93 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.974 0.416 . . . . 1.26 111.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.45 13.77 32.16 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.905 -0.589 . . . . 1.59 111.094 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.91 -34.62 78.55 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 112.25 0.463 . . . . 0.77 112.25 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -67.26 -28.38 67.99 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.567 0.347 . . . . 1.09 110.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.86 -45.36 8.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.399 0.68 . . . . 1.92 110.984 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.0 ttp -52.16 -43.73 64.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.221 0.608 . . . . 1.09 112.301 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.61 -37.28 73.82 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 122.924 0.14 . . . . 3.13 111.265 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.1 m -68.73 -31.28 70.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.353 0.261 . . . . 1.0 111.107 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 mt -76.01 -55.79 5.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.025 0.53 . . . . 0.96 110.883 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.6 72.78 10.64 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 120.967 0.413 . . . . 1.39 109.931 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 p -92.09 -24.38 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-N 116.062 -0.517 . . . . 0.82 111.527 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -72.34 -28.12 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.786 0.434 . . . . 1.74 111.8 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.78 89.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.89 0.876 . . . . 2.45 111.188 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -141.16 -70.13 0.37 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.325 0.25 . . . . 1.41 110.974 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -174.17 -58.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.941 0.496 . . . . 1.61 110.507 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -113.73 157.85 21.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.734 0.414 . . . . 2.42 111.319 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.32 103.66 16.27 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.754 -0.657 . . . . 1.23 112.022 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.28 177.82 2.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.646 0.378 . . . . 2.35 109.997 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.46 -31.0 69.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.447 0.567 . . . . 1.43 110.314 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -70.72 -29.43 65.69 Favored 'General case' 0 CA--C 1.552 1.04 0 O-C-N 123.211 0.319 . . . . 1.24 110.634 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.21 -40.29 13.8 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.789 0.436 . . . . 1.03 110.225 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -73.19 -12.95 61.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.37 0.668 . . . . 0.79 111.261 178.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -53.15 -26.12 15.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.433 1.093 . . . . 1.98 113.075 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.8 mmm-85 -68.76 -26.96 65.49 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 118.223 0.465 . . . . 2.48 111.821 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 tp -90.57 -31.1 16.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 110.085 -0.339 . . . . 0.59 110.085 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.9 mm -51.51 -38.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.881 -0.414 . . . . 0.91 109.881 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.38 -41.51 77.61 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 110.86 -0.896 . . . . 0.49 110.86 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.199 0.599 . . . . 0.86 112.037 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.39 -46.11 91.53 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.52 0.328 . . . . 0.95 111.061 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.26 -16.17 44.12 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.643 0.609 . . . . 1.12 112.643 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.14 -29.24 17.38 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.268 0.627 . . . . 1.46 111.35 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -86.8 -27.53 23.5 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.816 0.447 . . . . 1.65 112.088 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.82 -46.06 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 117.984 0.357 . . . . 0.93 111.753 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -37.38 24.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 119.582 -0.247 . . . . 2.16 111.538 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -152.71 109.87 3.52 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 112.633 0.605 . . . . 1.87 112.633 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -38.19 7.52 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.118 -0.697 . . . . 2.47 109.118 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.7 67.89 1.25 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.262 -1.385 . . . . 1.83 107.262 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -49.05 -34.51 13.63 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.335 1.235 . . . . 1.81 114.335 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.12 -32.91 33.57 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 112.014 0.376 . . . . 1.45 112.014 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -82.87 -60.74 2.07 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.365 0.266 . . . . 2.03 111.401 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -113.99 131.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.279 0.631 . . . . 1.24 109.92 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.75 37.66 1.19 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.323 0.86 . . . . 2.8 113.323 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 70.67 0.24 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.225 0.536 . . . . 2.08 111.196 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 tttp . . . . . 0 N--CA 1.47 0.541 0 CA-C-N 115.577 -0.738 . . . . 1.94 110.126 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.277 0.473 . . . . 2.04 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.3 165.25 13.19 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 111.865 0.321 . . . . 0.9 111.865 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.59 127.74 48.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.531 0.333 . . . . 1.0 111.434 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -129.94 136.85 29.69 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.148 0.579 . . . . 1.1 110.269 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.31 134.75 12.95 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.49 2.127 . . . . 1.08 112.818 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -123.18 -59.24 1.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.843 0.457 . . . . 1.32 111.474 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -120.72 168.18 11.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.453 0.701 . . . . 1.51 109.7 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.1 -47.1 75.43 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.864 0.69 . . . . 1.51 112.864 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.84 -36.23 70.11 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.154 0.427 . . . . 0.84 112.154 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.71 -43.27 72.74 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.816 -0.439 . . . . 0.95 109.816 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.98 -34.88 76.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.513 0.725 . . . . 0.85 111.753 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -59.78 -56.17 25.19 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.846 0.313 . . . . 1.04 111.846 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.88 -25.65 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 117.701 0.228 . . . . 1.1 111.409 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -69.76 -31.34 69.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.406 0.682 . . . . 1.0 111.779 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.25 -26.74 67.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.524 0.33 . . . . 1.34 111.718 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -76.36 -26.55 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 122.88 0.472 . . . . 0.78 110.337 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.7 10.89 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 C-N-CA 123.235 0.614 . . . . 0.97 111.856 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -127.51 -43.48 1.59 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.665 0.617 . . . . 0.88 112.665 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -68.37 -48.49 64.61 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.522 0.564 . . . . 0.75 112.522 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -93.48 -8.83 40.44 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.164 0.801 . . . . 1.21 113.164 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -22.26 61.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.326 0.491 . . . . 3.66 112.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -69.86 -34.18 73.25 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.456 0.302 . . . . 1.51 110.99 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.75 -29.5 14.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.076 0.55 . . . . 1.82 112.172 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -19.32 58.26 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 113.41 0.893 . . . . 0.91 113.41 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -84.14 0.37 48.84 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.112 0.782 . . . . 2.05 113.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.33 -31.72 48.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.118 0.414 . . . . 1.91 112.118 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -132.78 141.98 48.77 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.989 0.366 . . . . 1.45 111.989 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.34 81.64 0.07 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 119.57 -0.572 . . . . 1.1 114.096 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? 59.46 171.55 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.59 0.756 . . . . 3.19 112.236 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -90.65 -42.0 11.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.679 0.391 . . . . 1.24 111.356 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.98 -23.49 48.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.373 0.509 . . . . 1.36 112.373 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.3 t -90.79 147.77 22.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.067 0.766 . . . . 1.36 113.067 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.0 158.87 15.25 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 115.438 -0.801 . . . . 0.9 109.946 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -86.69 154.06 21.26 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 120.562 0.22 . . . . 1.1 111.416 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.86 -20.7 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 112.898 0.703 . . . . 0.81 112.898 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -99.47 -36.99 9.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.761 0.424 . . . . 0.95 111.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.27 -38.67 88.36 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.83 0.678 . . . . 1.61 112.83 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.94 89.18 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.041 0.382 . . . . 0.78 110.979 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.02 -36.77 84.66 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.244 0.34 . . . . 0.9 111.181 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.75 -31.44 68.26 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.407 0.283 . . . . 0.69 110.9 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.55 -36.2 76.12 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.558 0.343 . . . . 0.88 111.184 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.74 -28.98 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.682 0.393 . . . . 0.62 111.579 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -92.46 -8.76 43.75 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.818 0.673 . . . . 0.83 112.818 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -123.41 -58.98 1.58 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.929 0.714 . . . . 1.3 112.929 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -96.44 -8.67 31.65 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.935 1.087 . . . . 0.84 113.935 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -143.24 49.58 1.2 Allowed Pre-proline 0 CA--C 1.559 1.324 0 CA-C-N 118.462 0.574 . . . . 0.88 111.962 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.9 -25.92 1.35 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.248 1.965 . . . . 0.52 114.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -80.58 -19.28 45.94 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.854 0.687 . . . . 0.95 112.854 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.43 -59.63 2.7 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.012 0.369 . . . . 1.22 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.43 114.14 22.95 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.883 -0.784 . . . . 0.84 108.883 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -51.55 -39.12 57.16 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.981 0.734 . . . . 1.78 112.981 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -93.29 110.33 21.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.356 0.262 . . . . 1.94 110.331 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -94.98 -31.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.491 0.317 . . . . 0.7 111.617 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 -49.49 3.29 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-O 119.904 -0.387 . . . . 0.67 112.828 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -82.21 90.09 6.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.022 0.439 . . . . 1.26 110.2 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.87 15.92 13.45 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.613 -0.722 . . . . 1.59 111.271 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.37 -31.92 60.66 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.203 0.446 . . . . 0.73 112.203 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.51 -38.73 90.57 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.208 0.203 . . . . 1.1 110.888 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -44.54 16.34 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.549 0.339 . . . . 1.93 110.596 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.2 ttp -55.44 -43.44 75.41 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.174 0.589 . . . . 1.04 112.152 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -64.21 -38.6 91.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.294 0.237 . . . . 3.0 110.584 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -72.32 -31.12 65.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.267 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.7 -63.21 1.1 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 122.463 0.305 . . . . 0.97 110.951 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.37 77.89 9.1 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 121.403 0.62 . . . . 1.32 109.676 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.88 -32.24 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.138 -0.937 . . . . 0.83 111.941 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -70.49 -21.4 62.77 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.197 0.443 . . . . 1.65 112.197 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 62.4 59.42 1.55 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.29 0.636 . . . . 2.44 111.39 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.59 17.94 3.33 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.985 -0.552 . . . . 1.3 111.851 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m 56.97 31.25 19.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.176 0.59 . . . . 1.67 112.332 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -138.98 126.0 21.16 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.97 0.508 . . . . 2.4 110.438 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.73 68.96 0.86 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 123.384 0.427 . . . . 1.43 110.38 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.48 ' HA ' ' HA ' ' B' ' 32' ' ' SER . 38.5 tttm -64.0 161.36 16.03 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.814 -0.613 . . . . 2.2 110.102 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.58 -28.92 34.83 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 118.881 0.764 . . . . 1.47 112.149 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.18 -34.23 70.73 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 122.385 0.274 . . . . 1.32 110.432 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.64 -31.33 17.58 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 0.93 110.34 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -79.98 -8.27 59.26 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.098 0.959 . . . . 0.75 111.171 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.17 57.03 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.912 0.885 . . . . 1.87 112.228 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -73.45 -27.58 61.5 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 111.843 0.312 . . . . 2.72 111.843 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 12.1 tp -89.19 -32.4 17.47 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.567 0.347 . . . . 0.62 111.478 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mm -63.47 -37.4 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.692 -0.484 . . . . 1.18 109.692 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.0 92.42 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 111.823 -0.511 . . . . 0.44 111.823 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -77.42 -25.99 51.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.988 0.515 . . . . 0.91 110.958 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -48.12 81.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.822 0.449 . . . . 0.89 110.792 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -74.64 -32.91 62.43 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.218 0.451 . . . . 1.12 112.218 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.08 -28.36 62.25 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 122.632 0.373 . . . . 1.54 111.803 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 5.31 33.81 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.332 0.864 . . . . 1.68 113.332 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -36.76 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.582 0.628 . . . . 0.92 110.837 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -107.52 -29.98 8.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 113.458 0.911 . . . . 2.09 113.458 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -139.34 61.39 1.56 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 113.478 0.918 . . . . 1.96 113.478 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -35.41 55.34 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 109.774 -0.454 . . . . 2.66 109.774 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -137.51 70.14 1.4 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.214 -1.032 . . . . 1.65 108.214 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.614 0.968 . . . . 1.72 113.614 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.07 -44.9 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 111.771 0.286 . . . . 1.56 111.771 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -74.43 -48.85 25.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.912 0.485 . . . . 1.86 111.508 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 46.0 pt -127.83 145.41 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.228 0.611 . . . . 1.25 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -141.84 27.81 1.8 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.701 0.63 . . . . 2.97 112.701 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.75 101.33 0.57 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.181 -0.325 . . . . 2.3 111.759 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.087 -0.959 . . . . 2.1 109.976 178.735 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.444 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.459 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 120.703 0.287 . . . . 3.15 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.3 150.87 39.82 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 122.689 0.396 . . . . 1.19 111.048 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.19 107.05 15.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.473 -0.331 . . . . 1.01 110.247 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -106.18 129.73 24.09 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-O 119.078 -0.487 . . . . 1.02 110.218 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.67 126.03 21.1 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.785 2.323 . . . . 0.95 114.232 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.0 mt -125.16 -164.22 1.27 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.799 0.84 . . . . 1.29 109.551 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -55.67 159.65 2.89 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.486 0.584 . . . . 1.34 111.442 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -37.58 -57.98 0.91 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.883 1.438 . . . . 1.42 114.883 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.15 -31.08 67.27 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.188 0.449 . . . . 0.77 112.176 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.02 -29.8 63.29 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.878 -0.415 . . . . 1.03 109.878 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.23 -16.95 53.63 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.204 0.602 . . . . 0.81 111.763 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -57.53 -46.96 83.23 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.562 0.345 . . . . 1.04 111.44 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -87.49 -12.4 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 111.854 0.316 . . . . 1.07 111.854 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -75.33 -42.47 54.32 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.661 . . . . 1.0 111.33 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 m -64.05 -26.36 68.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.678 0.391 . . . . 1.16 111.807 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.1 t -73.62 -27.84 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 122.824 0.45 . . . . 0.64 110.566 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 t -90.46 11.93 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 C-N-CA 123.164 0.586 . . . . 0.95 111.438 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 p -124.06 -46.84 1.93 Allowed 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.844 -0.535 . . . . 0.93 111.869 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -62.81 -44.65 95.6 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.567 0.951 . . . . 0.76 113.567 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -103.16 -24.96 13.54 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.881 1.067 . . . . 1.1 113.881 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.8 -22.53 66.69 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 112.869 0.692 . . . . 3.79 112.869 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 m -69.49 -29.41 67.05 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 117.886 0.312 . . . . 1.74 110.949 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -93.42 -36.5 12.45 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.122 0.569 . . . . 1.82 111.205 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.29 -25.0 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.524 0.935 . . . . 1.0 113.524 -179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -60.87 -25.01 66.38 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.274 0.842 . . . . 1.8 113.274 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.18 -15.7 62.49 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.338 0.866 . . . . 2.01 113.338 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -122.69 105.53 10.15 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 112.956 0.725 . . . . 1.59 112.956 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 98.59 0.01 OUTLIER Glycine 0 C--N 1.352 1.432 0 N-CA-C 115.557 0.983 . . . . 1.2 115.557 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 56.77 168.82 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.089 0.956 . . . . 3.16 113.346 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -95.47 -8.82 34.29 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.415 0.894 . . . . 1.46 113.415 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.84 -31.08 11.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.374 0.879 . . . . 1.43 113.374 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.9 p -92.17 158.5 16.14 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.227 0.825 . . . . 1.33 113.227 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -97.0 167.52 11.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.627 0.771 . . . . 0.88 110.512 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 t -86.4 154.87 20.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.326 0.25 . . . . 0.99 111.098 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.26 -27.36 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.59 0.589 . . . . 0.73 112.59 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -101.53 -40.0 7.25 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.112 0.782 . . . . 0.92 113.112 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.19 -26.68 64.01 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.07 0.767 . . . . 1.54 113.07 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.29 86.44 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.376 0.535 . . . . 0.79 110.691 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.17 -34.83 78.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.789 0.436 . . . . 0.97 111.059 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.53 -35.43 80.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.268 0.355 . . . . 0.73 110.399 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.44 -39.68 85.41 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.67 0.388 . . . . 0.84 111.196 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.42 -27.59 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.651 0.38 . . . . 0.61 111.249 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.37 26.5 9.78 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 122.525 0.33 . . . . 0.8 111.886 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -145.69 -62.43 0.33 Allowed 'General case' 0 C--N 1.358 0.962 0 O-C-N 122.071 -0.393 . . . . 1.41 111.883 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -103.06 -12.79 17.16 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.712 0.634 . . . . 0.97 112.712 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 4.3 tp -130.52 39.41 0.51 Allowed Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 112.397 0.517 . . . . 0.85 112.397 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 93.6 Cg_endo -80.4 -28.2 3.05 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.13 1.886 . . . . 0.52 114.502 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -79.23 -9.85 59.67 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.79 0.663 . . . . 0.98 112.79 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.6 tp -87.47 -64.42 1.15 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.231 0.469 . . . . 1.12 110.985 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.74 108.8 16.37 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.904 -0.776 . . . . 0.94 108.904 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.12 -38.18 24.18 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.548 0.944 . . . . 1.91 113.548 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -104.43 99.18 8.87 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.817 -0.438 . . . . 2.08 109.817 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.9 m -96.24 -31.65 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.705 0.402 . . . . 0.75 111.623 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.33 -54.31 9.1 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 120.054 -0.303 . . . . 0.83 113.251 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.2 t -90.51 76.63 6.58 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.035 0.445 . . . . 1.26 110.323 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 49.97 0.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.85 -0.796 . . . . 1.59 108.85 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.1 -35.6 7.19 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.83 -0.623 . . . . 0.77 111.111 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.64 -30.47 71.49 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.282 0.233 . . . . 1.09 110.473 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -89.1 -35.3 16.37 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 123.082 0.553 . . . . 1.92 111.175 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.74 -38.87 76.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 111.967 0.358 . . . . 1.09 111.967 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.9 -34.16 77.18 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.173 0.189 . . . . 3.13 110.816 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 m -68.42 -35.99 78.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.619 0.368 . . . . 1.0 110.881 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 33.1 mt -70.82 -59.35 2.85 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 122.278 0.231 . . . . 0.96 110.46 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.58 85.14 6.03 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 120.899 0.381 . . . . 1.39 110.148 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.7 p -102.05 -22.86 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.742 -0.663 . . . . 0.82 111.979 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.05 -17.98 48.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.28 0.474 . . . . 1.74 112.28 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.23 86.16 0.13 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.499 0.72 . . . . 2.45 111.176 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -158.58 -78.07 0.07 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.825 0.45 . . . . 1.41 110.657 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.1 t 173.58 -43.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.155 0.982 . . . . 1.61 110.842 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.2 153.25 40.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.312 0.645 . . . . 2.42 112.536 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.64 84.92 2.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.79 -0.641 . . . . 1.23 110.144 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.72 164.05 5.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.229 0.612 . . . . 2.35 109.786 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -29.4 70.72 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.087 0.858 . . . . 1.43 111.826 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.36 -29.21 64.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.373 -0.602 . . . . 1.24 109.373 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.67 -46.03 14.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.494 0.717 . . . . 1.03 109.393 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -69.34 -15.97 63.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.953 0.901 . . . . 0.79 111.67 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -50.75 -31.79 17.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.845 0.858 . . . . 1.98 111.761 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.4 mmt-85 -61.72 -38.79 89.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.535 0.334 . . . . 2.48 111.558 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 tp -84.11 -35.44 23.69 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 119.212 -0.423 . . . . 0.59 111.132 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -53.28 -38.14 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 117.923 0.329 . . . . 0.91 110.351 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.69 86.4 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.028 -0.829 . . . . 0.49 111.028 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.26 -28.69 70.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.532 0.333 . . . . 0.86 111.317 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.5 mp -66.6 -52.23 47.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 117.857 0.299 . . . . 0.95 110.357 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.09 -12.82 60.01 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 112.974 0.731 . . . . 1.12 112.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.28 -39.31 11.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.029 0.532 . . . . 1.46 110.504 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.25 30.4 2.51 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.164 0.586 . . . . 1.65 111.784 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -45.05 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.65 0.38 . . . . 0.93 110.43 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 -36.53 8.75 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.125 0.417 . . . . 2.16 112.125 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -127.96 58.49 1.51 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.475 0.546 . . . . 1.87 112.475 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.53 78.92 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 122.24 -0.287 . . . . 2.47 110.802 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -134.72 73.48 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.191 -1.04 . . . . 1.83 108.191 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.28 -34.84 72.75 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.568 0.951 . . . . 1.81 113.568 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp -73.9 -39.16 64.06 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.025 0.38 . . . . 1.45 112.025 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -79.09 -56.17 4.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.54 0.336 . . . . 2.03 111.637 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.13 148.86 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 122.81 0.444 . . . . 1.24 111.448 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -140.46 42.97 1.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.539 0.335 . . . . 2.8 111.736 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -168.41 121.19 0.84 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.068 0.396 . . . . 2.08 112.068 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 1.94 110.684 179.135 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.847 0.314 . . . . 2.04 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.13 24.01 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 122.8 0.44 . . . . 0.9 111.359 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.02 136.91 36.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.412 0.285 . . . . 1.0 111.428 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -138.76 146.18 49.19 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 122.871 0.468 . . . . 1.1 110.976 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -80.73 141.57 13.71 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.76 2.307 . . . . 1.08 112.811 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -139.02 -61.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 111.928 0.344 . . . . 1.32 111.928 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.06 169.08 10.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.256 0.622 . . . . 1.51 110.548 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.54 -41.33 89.82 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.945 0.498 . . . . 1.51 112.116 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.32 -37.21 45.15 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.362 0.265 . . . . 0.84 111.637 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.94 -34.43 71.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.581 0.352 . . . . 0.95 111.19 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.44 -35.57 70.96 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 122.471 0.308 . . . . 0.85 110.83 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -56.56 -48.38 77.45 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.734 0.414 . . . . 1.04 111.838 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.08 -26.36 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 122.393 0.277 . . . . 1.1 111.585 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -32.33 60.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.198 0.599 . . . . 1.0 111.952 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -61.0 -31.63 71.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.841 0.456 . . . . 1.34 112.105 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.37 -32.42 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.363 0.265 . . . . 0.78 111.08 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 t -84.07 -53.06 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.618 0.367 . . . . 0.97 111.436 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.4 p -59.21 -46.4 88.54 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.272 1.212 . . . . 0.88 114.272 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -65.36 -48.44 72.95 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.833 0.679 . . . . 0.75 112.833 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -92.53 18.61 8.34 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 113.031 0.752 . . . . 1.21 113.031 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -75.27 -26.93 59.18 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.646 0.657 . . . . 3.66 110.926 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -60.67 -43.21 97.94 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.82 0.448 . . . . 1.51 110.933 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -80.38 -39.75 27.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.333 0.253 . . . . 1.82 110.778 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.95 -29.99 69.97 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.455 0.909 . . . . 0.91 113.455 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -88.72 9.31 24.81 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.173 0.805 . . . . 2.05 113.173 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -75.07 -37.76 61.52 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 117.969 0.349 . . . . 1.91 110.945 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.74 -175.81 2.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.267 0.627 . . . . 1.45 110.564 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.19 163.42 2.35 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.744 0.658 . . . . 1.1 114.744 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? 64.53 139.46 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.128 0.971 . . . . 3.19 111.02 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -76.94 -64.85 1.03 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 122.389 -0.194 . . . . 1.24 111.326 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -89.52 71.64 7.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.444 -0.576 . . . . 1.36 109.444 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -156.18 141.59 17.61 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.07 -0.514 . . . . 1.36 112.269 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.92 141.76 32.3 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.193 0.597 . . . . 0.9 109.476 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.4 t -81.1 161.4 24.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.051 0.141 . . . . 1.1 111.077 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.07 -31.69 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 112.808 0.67 . . . . 0.81 112.808 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -104.6 25.73 9.93 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 111.893 0.331 . . . . 0.95 111.893 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -121.33 -45.37 2.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.942 0.497 . . . . 1.61 111.456 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -65.25 -33.38 75.85 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.624 0.193 . . . . 0.78 110.764 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -71.02 -41.67 70.54 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.371 0.419 . . . . 0.9 110.251 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -69.71 -30.0 67.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.382 0.273 . . . . 0.69 111.449 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.3 -36.0 78.67 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 110.361 -0.237 . . . . 0.88 110.361 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.0 t -74.02 -23.56 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.041 0.536 . . . . 0.62 110.89 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -98.66 -14.36 19.88 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 112.858 0.688 . . . . 0.83 112.858 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -111.3 -60.51 1.83 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.265 0.839 . . . . 1.3 113.265 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -107.57 2.24 23.88 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 114.166 1.173 . . . . 0.84 114.166 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.34 47.75 0.71 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-N 118.697 0.68 . . . . 0.88 112.317 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -88.65 -23.93 0.92 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.424 2.083 . . . . 0.52 115.158 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.88 -28.18 28.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.219 0.452 . . . . 0.95 112.219 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.74 -52.98 20.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.775 0.287 . . . . 1.22 111.775 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.68 115.87 29.66 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.527 -0.545 . . . . 0.84 109.527 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.148 0.796 . . . . 1.78 113.148 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -85.07 82.22 8.53 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.762 0.255 . . . . 1.94 110.35 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.9 -35.32 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 116.487 -0.324 . . . . 0.7 111.453 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.72 -38.04 5.93 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-O 119.801 -0.444 . . . . 0.67 113.197 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -91.65 74.1 5.86 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.172 0.486 . . . . 1.26 110.896 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 3.28 34.45 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.831 -0.622 . . . . 1.59 111.557 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.42 -27.24 67.68 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.67 0.619 . . . . 0.73 112.67 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -66.1 -47.92 72.6 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.439 0.296 . . . . 1.1 111.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -75.12 -34.35 61.68 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 119.425 -0.321 . . . . 1.93 110.665 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.4 ttp -50.94 -42.18 59.55 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.272 0.629 . . . . 1.04 112.432 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -69.62 -41.77 75.22 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.733 0.413 . . . . 3.0 110.916 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -71.43 -30.67 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.971 0.508 . . . . 1.0 111.809 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.16 -62.21 1.48 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.134 0.573 . . . . 0.97 110.779 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.93 77.09 6.99 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.269 0.557 . . . . 1.32 110.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 p -75.61 -29.9 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 115.377 -0.829 . . . . 0.83 111.488 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.01 -33.96 72.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.061 0.544 . . . . 1.65 111.902 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 66.07 68.53 0.45 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.291 0.636 . . . . 2.44 110.304 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.11 -63.9 1.35 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.963 -0.562 . . . . 1.3 110.8 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t 177.78 -49.75 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.488 0.715 . . . . 1.67 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.81 163.15 16.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.265 0.626 . . . . 2.4 111.205 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -96.33 99.03 10.75 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 1.43 110.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.54 166.3 19.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.92 -1.141 . . . . 2.2 107.92 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -20.96 62.49 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.02 0.827 . . . . 1.47 112.316 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.63 -29.81 61.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.408 -0.59 . . . . 1.32 109.408 175.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.27 -41.27 14.74 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 123.332 0.653 . . . . 0.93 109.781 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -67.58 -17.95 64.82 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.615 0.766 . . . . 0.75 110.563 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -37.98 -43.41 0.71 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 126.217 1.807 . . . . 1.87 113.982 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -68.69 -32.78 72.84 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.198 0.814 . . . . 2.72 113.198 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -73.77 -28.72 61.81 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.227 0.467 . . . . 0.62 111.352 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 mm -68.51 -38.82 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 109.607 -0.516 . . . . 1.18 109.607 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.26 -38.89 88.06 Favored Glycine 0 C--N 1.358 1.804 0 N-CA-C 111.948 -0.461 . . . . 0.44 111.948 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.32 -25.18 54.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.681 0.393 . . . . 0.91 110.233 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -48.69 80.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.189 0.596 . . . . 0.89 110.964 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.36 -25.68 57.92 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.74 0.645 . . . . 1.12 112.74 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -75.98 -35.76 59.49 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.799 0.296 . . . . 1.54 111.799 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -79.79 -12.86 59.75 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.993 0.738 . . . . 1.68 112.993 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.33 -42.59 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.686 0.675 . . . . 0.92 111.503 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -98.96 -43.39 6.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.501 0.321 . . . . 2.09 111.405 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -125.27 81.94 2.01 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 112.79 0.663 . . . . 1.96 112.79 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -84.84 -33.19 22.92 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 109.308 -0.627 . . . . 2.66 109.308 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -140.69 75.12 1.49 Allowed 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.68 0.792 . . . . 1.65 108.907 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -76.44 70.21 2.99 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.407 0.622 . . . . 1.72 110.816 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -171.3 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.239 -0.891 . . . . 1.56 109.93 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -93.43 -44.83 8.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.214 0.606 . . . . 1.86 110.265 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 10.9 pt -130.59 116.49 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.102 0.561 . . . . 1.25 111.296 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -140.3 50.4 1.7 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.939 0.399 . . . . 2.97 111.554 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -161.77 41.14 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 111.828 0.307 . . . . 2.3 111.828 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.01 -0.995 . . . . 2.1 110.757 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.431 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.458 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 113.116 0.784 . . . . 3.15 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.9 136.9 48.45 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.896 0.478 . . . . 1.19 110.435 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 116.46 22.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.527 0.203 . . . . 1.01 111.435 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.05 140.76 21.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 122.903 0.481 . . . . 1.02 110.711 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -62.95 138.2 66.76 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.532 2.155 . . . . 0.95 113.073 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -136.7 -122.87 0.15 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 118.796 -0.621 . . . . 1.29 110.182 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m -72.16 163.59 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 119.425 1.011 . . . . 1.34 110.651 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.67 -40.4 39.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 112.941 0.719 . . . . 1.42 112.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.59 -42.22 43.32 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.788 0.267 . . . . 0.77 110.982 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.25 -31.73 72.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.136 0.174 . . . . 1.03 110.755 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.32 -28.78 62.27 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.218 0.607 . . . . 0.81 111.36 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -57.82 -60.59 3.47 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 122.329 0.252 . . . . 1.04 110.858 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -66.7 -27.88 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.684 0.253 . . . . 1.07 111.684 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -63.73 -40.86 97.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 1.0 111.862 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 m -64.41 -33.05 74.97 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.532 0.333 . . . . 1.16 111.127 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.7 t -70.3 -32.42 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.721 0.408 . . . . 0.64 110.995 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.85 -57.23 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.048 0.539 . . . . 0.95 111.851 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -62.5 -29.71 70.74 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.418 1.266 . . . . 0.93 114.418 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -75.56 -33.6 60.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.67 0.989 . . . . 0.76 113.67 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -107.61 -27.55 10.28 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.312 1.227 . . . . 1.1 114.312 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.71 -20.17 66.18 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.8 0.727 . . . . 3.79 112.39 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.0 m -70.37 -31.33 68.53 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.409 0.284 . . . . 1.74 111.339 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.99 -28.71 13.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.737 0.415 . . . . 1.82 112.068 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.68 -23.36 49.61 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.626 0.972 . . . . 1.0 113.626 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -64.27 -24.38 67.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.085 1.142 . . . . 1.8 114.085 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -72.61 -25.18 61.22 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.369 0.877 . . . . 2.01 113.369 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -77.07 -41.66 41.41 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.077 0.769 . . . . 1.59 113.077 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.91 122.69 0.69 Allowed Glycine 0 C--N 1.349 1.261 0 C-N-CA 120.882 -0.675 . . . . 1.2 113.227 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? 62.96 141.74 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.798 0.839 . . . . 3.16 111.091 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.81 -38.96 57.65 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.027 0.751 . . . . 1.46 113.027 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.67 27.88 3.68 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.155 0.428 . . . . 1.43 112.155 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -135.03 145.7 48.29 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.899 0.479 . . . . 1.33 110.794 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mp -99.15 162.46 13.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 0.88 110.646 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 t -87.43 165.93 15.19 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.718 0.407 . . . . 0.99 111.612 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -89.51 -25.68 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 122.883 0.473 . . . . 0.73 112.003 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -97.52 -38.81 9.43 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.851 0.315 . . . . 0.92 111.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.12 -35.48 74.13 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.446 0.536 . . . . 1.54 112.446 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -27.92 67.79 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.987 0.358 . . . . 0.79 111.124 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.07 -36.93 80.63 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 122.63 0.372 . . . . 0.97 110.099 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.03 -33.59 72.18 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.792 0.437 . . . . 0.73 110.455 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.06 -38.41 86.11 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.255 0.622 . . . . 0.84 111.414 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 ' HA ' ' HB3' ' A' ' 46' ' ' LEU . 51.1 t -81.64 -24.27 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 122.696 0.398 . . . . 0.61 111.399 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.4 m -90.89 -3.38 57.39 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.662 0.616 . . . . 0.8 112.662 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -131.75 -56.14 1.0 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 112.805 0.669 . . . . 1.41 112.805 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -99.81 2.53 44.08 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.543 0.942 . . . . 0.97 113.543 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 42' ' ' VAL . 4.5 tp -146.67 47.56 0.61 Allowed Pre-proline 0 CA--C 1.563 1.445 0 CA-C-N 118.254 0.479 . . . . 0.85 111.327 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -82.5 -43.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.315 2.01 . . . . 0.52 114.326 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -63.2 -34.45 77.67 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.919 0.34 . . . . 0.98 111.919 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.39 -55.44 13.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.582 0.353 . . . . 1.12 110.453 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -113.58 81.85 1.58 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.702 -0.851 . . . . 0.94 108.702 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -57.49 -33.53 68.1 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.804 1.039 . . . . 1.91 113.804 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.25 78.4 6.92 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.054 0.454 . . . . 2.08 110.095 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.14 -32.48 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.897 -0.592 . . . . 0.75 112.292 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.69 59.22 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 119.693 -0.504 . . . . 0.83 113.516 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -90.95 53.2 2.32 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.248 0.524 . . . . 1.26 111.287 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -17.76 33.19 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.513 -0.312 . . . . 1.59 110.458 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -60.31 -31.53 70.36 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.626 0.371 . . . . 0.77 111.154 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.42 -36.86 74.26 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.851 0.46 . . . . 1.09 110.633 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.1 -39.28 13.73 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.897 0.479 . . . . 1.92 110.5 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 ttp -57.08 -33.98 67.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.173 0.589 . . . . 1.09 112.131 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.91 -37.21 85.49 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.349 0.26 . . . . 3.13 110.591 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.9 m -74.96 -31.13 61.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.859 0.464 . . . . 1.0 111.044 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.11 -59.38 2.78 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 122.351 0.261 . . . . 0.96 110.593 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -80.97 73.41 8.0 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.078 0.466 . . . . 1.39 110.299 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -96.82 -34.0 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.881 -0.599 . . . . 0.82 111.531 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -73.55 -27.89 61.58 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.553 0.341 . . . . 1.74 111.106 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 67.46 78.44 0.24 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.216 1.006 . . . . 2.45 111.836 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -143.33 8.45 1.59 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.885 -0.598 . . . . 1.41 112.157 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 61.09 18.33 8.91 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.294 0.638 . . . . 1.61 112.516 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -139.28 112.96 8.44 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.316 -0.624 . . . . 2.42 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.8 83.69 7.08 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.079 0.237 . . . . 1.23 111.624 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -60.97 164.86 4.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.056 -0.72 . . . . 2.35 109.056 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.69 -24.75 67.9 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.126 0.876 . . . . 1.43 112.273 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.6 -29.08 63.19 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.489 -0.56 . . . . 1.24 109.489 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.63 -40.69 15.93 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.547 -0.538 . . . . 1.03 109.547 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -71.66 -16.31 62.25 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.342 0.657 . . . . 0.79 111.267 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -53.53 -32.29 49.9 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.529 1.132 . . . . 1.98 112.666 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 mmm-85 -69.02 -26.03 64.79 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.584 0.587 . . . . 2.48 112.584 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.8 tp -84.46 -32.57 23.96 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.109 0.413 . . . . 0.59 111.359 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.96 -35.56 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 117.801 0.273 . . . . 0.91 110.409 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.72 -38.03 89.42 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 111.5 -0.64 . . . . 0.49 111.5 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.36 -32.94 69.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.854 0.461 . . . . 0.86 110.619 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.4 -50.76 72.53 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.026 0.53 . . . . 0.95 111.36 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.56 -16.69 47.59 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.224 0.824 . . . . 1.12 113.224 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -82.36 -35.82 27.43 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.182 0.446 . . . . 1.46 110.865 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -80.38 -21.96 41.8 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.583 0.586 . . . . 1.65 112.583 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -41.19 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-N 118.333 0.515 . . . . 0.93 111.486 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -47.05 12.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.23 0.212 . . . . 2.16 111.378 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -147.98 102.16 3.36 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.915 0.388 . . . . 1.87 111.812 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -38.36 13.06 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.032 -0.531 . . . . 2.47 109.72 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -117.39 81.49 1.66 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.085 -1.08 . . . . 1.83 108.085 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.32 63.3 1.39 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.307 0.484 . . . . 1.81 112.307 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.9 tp -176.43 -49.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.756 0.822 . . . . 1.45 110.805 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -81.22 -54.67 5.31 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.069 0.547 . . . . 2.03 111.734 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.06 127.72 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.686 0.394 . . . . 1.24 110.857 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -138.45 49.85 1.89 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.791 0.293 . . . . 2.8 111.791 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -170.63 101.43 0.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.566 0.347 . . . . 2.08 110.549 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.345 0.396 0 CA-C-O 121.018 0.437 . . . . 1.94 110.725 -179.35 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 120.181 0.039 . . . . 2.04 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 146.38 24.9 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.57 0.348 . . . . 0.9 110.882 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.78 111.69 23.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.485 0.314 . . . . 1.0 111.165 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -111.22 137.0 20.87 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 122.94 0.496 . . . . 1.1 110.671 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.11 145.48 11.05 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.429 2.086 . . . . 1.08 113.19 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.0 -65.16 0.49 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.64 0.376 . . . . 1.32 111.09 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 m -101.02 160.87 14.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.116 0.567 . . . . 1.51 110.043 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -55.79 -40.0 72.07 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.301 0.482 . . . . 1.51 112.301 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt -75.69 -39.08 58.06 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.684 0.394 . . . . 0.84 111.478 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.49 -36.15 78.53 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.127 -0.323 . . . . 0.95 110.127 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.142 0.577 . . . . 0.85 110.981 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -61.19 -53.83 51.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.35 0.26 . . . . 1.04 111.209 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.86 -18.56 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 112.186 0.439 . . . . 1.1 112.186 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -83.77 -38.51 21.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.299 0.64 . . . . 1.0 111.196 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -62.19 -31.83 72.39 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.558 0.343 . . . . 1.34 111.667 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.07 -32.12 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 110.355 -0.239 . . . . 0.78 110.355 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.45 -51.55 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.013 0.525 . . . . 0.97 110.894 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.7 p -60.47 -23.4 64.44 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.35 1.241 . . . . 0.88 114.35 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -85.02 -44.68 12.84 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.62 0.645 . . . . 0.75 112.132 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -98.32 3.14 48.66 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.444 1.275 . . . . 1.21 114.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -67.94 -33.27 74.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 119.546 1.067 . . . . 3.66 110.628 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -62.13 -38.41 88.86 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.855 0.462 . . . . 1.51 111.203 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -86.03 -32.7 21.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.818 0.447 . . . . 1.82 111.69 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.07 -26.83 63.23 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.608 0.966 . . . . 0.91 113.608 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -78.76 -1.95 37.12 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.857 1.058 . . . . 2.05 113.857 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.38 -36.34 79.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 118.296 0.498 . . . . 1.91 112.222 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -102.87 -175.94 2.95 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.661 0.384 . . . . 1.45 110.735 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.7 145.73 8.1 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 114.919 0.727 . . . . 1.1 114.919 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? 63.5 128.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.409 1.084 . . . . 3.19 111.475 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.43 -33.16 69.16 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.011 0.374 . . . . 1.24 112.011 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -98.38 33.69 2.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.571 0.349 . . . . 1.36 111.337 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -134.29 146.18 49.78 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 122.489 0.316 . . . . 1.36 111.441 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.93 151.83 21.28 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.051 -0.522 . . . . 0.9 110.346 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.0 t -80.45 148.97 30.28 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.677 -0.49 . . . . 1.1 109.677 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.27 -14.92 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 112.431 0.53 . . . . 0.81 112.431 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -102.48 -35.39 8.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.771 0.428 . . . . 0.95 111.538 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.65 -35.47 70.37 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 112.904 0.705 . . . . 1.61 112.904 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.82 -35.12 79.79 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.934 0.334 . . . . 0.78 110.474 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -67.67 -37.37 82.25 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.779 0.431 . . . . 0.9 110.574 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.59 -36.35 78.59 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.615 0.366 . . . . 0.69 110.923 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.35 -35.32 80.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.512 0.325 . . . . 0.88 110.54 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.32 -29.21 30.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.11 0.564 . . . . 0.62 111.092 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -101.49 13.61 34.46 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.181 0.437 . . . . 0.83 112.181 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -135.73 -46.1 0.67 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.212 0.449 . . . . 1.3 112.212 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -117.16 -14.46 10.52 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.426 0.898 . . . . 0.84 113.426 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.49 38.92 0.46 Allowed Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 112.789 0.663 . . . . 0.88 112.789 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -75.76 -36.87 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.192 1.928 . . . . 0.52 114.51 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.86 -24.39 62.5 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.446 0.535 . . . . 0.95 112.446 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.15 -60.16 2.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.45 0.3 . . . . 1.22 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.0 mt -92.27 108.52 20.02 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.188 -0.671 . . . . 0.84 109.188 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -52.22 -37.14 54.14 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.696 0.628 . . . . 1.78 112.696 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -99.24 82.43 2.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 122.355 0.262 . . . . 1.94 111.392 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.16 -32.4 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 111.803 0.298 . . . . 0.7 111.803 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.34 -43.37 8.02 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 119.807 -0.44 . . . . 0.67 112.429 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -87.06 78.2 8.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.103 0.477 . . . . 1.26 110.014 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.26 9.16 19.95 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.245 -0.889 . . . . 1.59 110.533 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.71 -34.9 65.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.961 0.356 . . . . 0.73 111.961 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.31 -35.53 77.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.248 0.219 . . . . 1.1 110.98 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.22 -29.58 19.16 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.102 0.561 . . . . 1.93 111.502 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 45.1 ttp -64.68 -41.5 96.01 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.631 0.604 . . . . 1.04 112.631 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.82 -42.13 77.64 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.998 0.363 . . . . 3.0 110.446 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -66.33 -38.56 87.94 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.467 0.307 . . . . 1.0 110.402 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.68 -41.81 95.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.456 0.703 . . . . 0.97 110.758 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -106.72 64.47 0.65 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.105 0.562 . . . . 1.32 110.359 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.22 -26.17 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 116.244 -0.434 . . . . 0.83 111.108 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.56 -28.57 66.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.051 0.54 . . . . 1.65 111.526 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 64.53 73.54 0.42 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.379 1.072 . . . . 2.44 112.558 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -152.14 15.82 0.63 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.237 0.458 . . . . 1.3 112.237 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t 57.2 29.22 16.31 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.762 0.825 . . . . 1.67 112.882 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -138.02 123.23 19.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.627 0.371 . . . . 2.4 110.088 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.55 76.47 1.83 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.53 0.332 . . . . 1.43 111.044 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -65.6 154.69 38.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.393 -0.966 . . . . 2.2 108.393 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -27.44 43.24 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 118.845 0.748 . . . . 1.47 112.959 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.42 -39.19 81.67 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 110.07 -0.344 . . . . 1.32 110.07 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -88.97 -23.79 22.57 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.348 0.659 . . . . 0.93 111.356 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -80.66 -6.1 57.9 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.028 0.531 . . . . 0.75 111.116 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -19.51 63.62 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.471 0.708 . . . . 1.87 112.564 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.53 -43.21 97.41 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 118.322 0.51 . . . . 2.72 111.495 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.0 tp -79.95 -23.24 41.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.392 0.277 . . . . 0.62 111.046 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.83 -35.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.771 0.428 . . . . 1.18 110.427 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.21 63.94 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 111.817 -0.513 . . . . 0.44 111.817 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.28 -14.92 59.22 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.91 111.313 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -56.99 13.34 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.403 0.681 . . . . 0.89 111.285 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.39 -6.04 56.93 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.66 0.615 . . . . 1.12 112.66 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -89.5 -32.8 17.02 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.886 0.312 . . . . 1.54 110.901 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -96.93 27.81 3.83 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.288 0.235 . . . . 1.68 111.592 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.22 -42.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.839 0.456 . . . . 0.92 110.157 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -32.06 9.94 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.608 0.363 . . . . 2.09 111.836 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -129.56 57.68 1.66 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 121.466 0.65 . . . . 1.96 111.351 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -39.1 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.81 -0.632 . . . . 2.66 111.182 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -127.15 74.34 1.5 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.974 -1.121 . . . . 1.65 107.974 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.0 74.13 2.89 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tp -173.94 -51.25 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.124 0.57 . . . . 1.56 111.054 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -91.49 -37.86 12.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.536 0.334 . . . . 1.86 111.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 25.0 pt -122.33 141.88 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.83 0.452 . . . . 1.25 110.674 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -149.53 19.99 0.93 Allowed 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.923 0.712 . . . . 2.97 112.923 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.65 102.09 2.36 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.721 0.296 . . . . 2.3 110.513 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.191 -0.909 . . . . 2.1 110.611 -179.784 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.459 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.406 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 113.211 0.819 . . . . 3.15 113.211 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.8 149.09 37.54 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 122.727 0.411 . . . . 1.19 111.728 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.44 105.05 16.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.838 0.455 . . . . 1.01 110.769 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.28 144.0 27.29 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.257 0.623 . . . . 1.02 111.414 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.67 131.34 41.73 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.87 2.38 . . . . 0.95 113.364 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.9 mt -127.94 -146.83 0.34 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 109.171 -0.677 . . . . 1.29 109.171 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -63.13 178.29 0.52 Allowed 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.247 0.931 . . . . 1.34 111.839 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -55.24 -46.1 76.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.242 0.83 . . . . 1.42 113.242 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.72 -40.97 27.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.716 0.235 . . . . 0.77 111.383 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -66.27 -25.34 66.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.612 0.365 . . . . 1.03 111.603 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.83 -28.08 26.33 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.065 0.546 . . . . 0.81 111.036 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.4 m -56.96 -54.32 48.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.655 0.382 . . . . 1.04 111.114 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.61 -22.99 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 O-C-N 123.097 0.248 . . . . 1.07 111.53 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -71.85 -38.78 70.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.693 0.397 . . . . 1.0 110.407 177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -58.8 -36.4 74.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.695 0.398 . . . . 1.16 111.557 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.09 -32.89 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.46 0.304 . . . . 0.64 110.979 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.59 -60.79 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 0.95 110.755 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -58.34 -32.48 68.56 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.628 0.974 . . . . 0.93 113.628 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.96 -41.6 82.2 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.393 0.516 . . . . 0.76 112.393 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -105.78 5.68 31.09 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.554 0.946 . . . . 1.1 113.554 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -71.98 -26.16 62.14 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 118.979 0.809 . . . . 3.79 110.858 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.6 m -67.15 -35.44 79.71 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.941 0.496 . . . . 1.74 110.781 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.71 -37.58 19.23 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.837 0.455 . . . . 1.82 110.592 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.27 73.88 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.848 0.684 . . . . 1.0 112.848 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.18 -14.47 59.45 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 112.744 0.646 . . . . 1.8 112.744 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.76 -37.03 85.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.683 0.623 . . . . 2.01 112.683 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.38 -170.85 1.83 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.024 0.529 . . . . 1.59 111.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.38 133.74 33.92 Favored Glycine 0 C--N 1.359 1.85 0 N-CA-C 114.861 0.704 . . . . 1.2 114.861 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 61.48 141.98 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.258 1.023 . . . . 3.16 113.043 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.32 -36.42 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.65 -0.705 . . . . 1.46 111.816 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -76.98 -16.97 59.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.313 0.857 . . . . 1.43 113.313 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.5 p -104.05 143.85 32.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.179 0.807 . . . . 1.33 113.179 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.11 148.6 22.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.656 0.782 . . . . 0.88 109.241 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -81.56 143.96 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 117.672 0.215 . . . . 0.99 111.088 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.13 -22.72 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 112.565 0.58 . . . . 0.73 112.565 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -93.32 -34.67 13.42 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.729 0.412 . . . . 0.92 111.622 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -75.0 -39.31 61.3 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.59 0.589 . . . . 1.54 112.59 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -33.63 76.04 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.796 0.271 . . . . 0.79 111.15 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -63.39 -35.79 81.58 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.241 0.338 . . . . 0.97 110.874 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.09 -32.08 71.26 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.501 0.32 . . . . 0.73 110.812 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.62 -30.94 71.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.941 0.497 . . . . 0.84 110.981 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.9 t -77.45 -32.54 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.845 0.458 . . . . 0.61 112.045 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.82 14.82 28.99 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.15 0.796 . . . . 0.8 113.15 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -141.52 -55.38 0.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.597 0.635 . . . . 1.41 112.653 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -106.74 -1.82 22.22 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.053 0.76 . . . . 0.97 113.053 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tp -144.23 46.77 0.67 Allowed Pre-proline 0 CA--C 1.562 1.41 0 CA-C-N 118.182 0.446 . . . . 0.85 112.081 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.54 -40.42 0.11 Allowed 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 122.183 1.922 . . . . 0.52 114.305 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -65.22 -25.69 67.8 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.234 0.457 . . . . 0.98 112.234 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -70.83 -56.0 7.28 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.642 0.377 . . . . 1.12 111.144 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.8 mt -98.21 106.0 18.23 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.603 0.564 . . . . 0.94 110.255 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -51.92 -37.13 51.47 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 112.999 0.74 . . . . 1.91 112.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -102.05 94.5 5.8 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 123.321 0.388 . . . . 2.08 110.372 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -85.63 -26.55 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 112.149 0.425 . . . . 0.75 112.149 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.62 -56.18 3.02 Favored Glycine 0 C--N 1.355 1.626 0 CA-C-O 119.666 -0.519 . . . . 0.83 112.804 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -83.39 76.12 9.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.167 0.508 . . . . 1.26 110.66 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.92 -5.77 37.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.42 -0.809 . . . . 1.59 110.714 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.56 -33.32 69.8 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.397 0.888 . . . . 0.77 113.397 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -56.86 -40.56 76.37 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.925 0.33 . . . . 1.09 111.275 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -93.54 -25.98 17.34 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.295 0.372 . . . . 1.92 111.032 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 40.6 ttp -67.84 -38.29 82.99 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.679 0.392 . . . . 1.09 111.575 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -64.42 -37.85 88.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.389 -0.226 . . . . 3.13 110.389 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -77.01 -35.5 56.99 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.61 0.364 . . . . 1.0 110.484 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mt -57.75 -51.1 70.96 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.465 0.706 . . . . 0.96 110.978 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.3 70.09 5.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.554 -0.535 . . . . 1.39 109.554 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.9 p -90.49 -18.89 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 115.616 -0.72 . . . . 0.82 112.122 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -85.04 -20.82 29.85 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 111.976 0.361 . . . . 1.74 111.976 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 61.66 75.66 0.4 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.869 0.867 . . . . 2.45 111.398 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -150.17 18.03 0.86 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.017 -0.538 . . . . 1.41 112.204 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t 72.54 -54.6 0.69 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.273 1.029 . . . . 1.61 112.408 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.24 147.04 28.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 2.42 111.096 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.64 101.62 11.05 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.908 0.483 . . . . 1.23 110.966 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -65.16 171.7 3.54 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.055 -0.72 . . . . 2.35 109.055 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.84 -30.49 71.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.504 1.047 . . . . 1.43 111.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.64 -29.46 66.94 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 1.24 109.675 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.46 -39.08 23.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.097 0.559 . . . . 1.03 110.192 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -69.63 -18.96 63.63 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.507 0.723 . . . . 0.79 111.04 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -49.32 -29.5 6.14 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.151 1.38 . . . . 1.98 113.434 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -61.23 -38.49 86.84 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.724 0.41 . . . . 2.48 111.393 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.49 -27.02 32.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.207 0.317 . . . . 0.59 110.711 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.55 -39.35 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.727 0.411 . . . . 0.91 110.131 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.87 92.3 Favored Glycine 0 C--N 1.354 1.572 0 O-C-N 123.22 0.325 . . . . 0.49 112.516 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.38 -16.48 60.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.87 0.468 . . . . 0.86 112.011 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.07 -46.39 89.72 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.029 0.532 . . . . 0.95 111.386 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -97.08 -13.5 22.16 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.475 0.546 . . . . 1.12 112.475 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -80.04 -30.8 39.5 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.481 0.312 . . . . 1.46 110.377 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.51 -9.49 41.16 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.338 0.496 . . . . 1.65 112.338 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.57 -39.37 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.659 0.663 . . . . 0.93 110.539 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -103.04 -39.59 6.83 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.349 0.5 . . . . 2.16 112.349 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -127.89 76.74 1.71 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.522 0.564 . . . . 1.87 112.522 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.22 -37.29 20.26 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.571 -0.286 . . . . 2.47 110.296 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -132.72 77.2 1.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.886 -1.153 . . . . 1.83 107.886 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -49.54 -38.91 32.74 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.347 1.24 . . . . 1.81 114.347 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.59 56.65 0.63 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.139 0.495 . . . . 1.45 111.077 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -164.0 -52.3 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.042 -0.526 . . . . 2.03 110.679 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.2 pt -132.08 123.82 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.215 0.606 . . . . 1.24 110.41 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -129.42 29.62 5.07 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.599 0.592 . . . . 2.8 112.599 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -154.75 85.63 1.11 Allowed 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.121 0.486 . . . . 2.08 111.238 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--N 1.351 0.651 0 CA-C-N 115.84 -0.618 . . . . 1.94 110.391 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 111.781 0.289 . . . . 2.04 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.39 146.13 23.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.729 0.412 . . . . 0.9 111.423 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.21 119.64 30.7 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 122.612 0.365 . . . . 1.0 110.776 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -114.74 141.27 26.5 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 122.845 0.458 . . . . 1.1 111.647 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.35 132.9 11.58 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.575 2.183 . . . . 1.08 112.832 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.88 -60.23 0.98 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.816 0.446 . . . . 1.32 111.262 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -119.65 164.77 15.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.485 0.714 . . . . 1.51 109.899 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -51.4 -54.01 30.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.975 0.731 . . . . 1.51 112.975 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.19 -35.93 80.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.056 0.391 . . . . 0.84 112.056 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.17 -37.08 75.08 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 110.335 -0.246 . . . . 0.95 110.335 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.56 -36.36 76.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.279 0.632 . . . . 0.85 111.252 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 -50.82 69.37 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.415 0.286 . . . . 1.04 111.564 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -78.68 -23.15 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 112.374 0.509 . . . . 1.1 112.374 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.61 -37.24 65.48 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.871 0.468 . . . . 1.0 110.767 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.52 0.328 . . . . 1.34 111.485 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.78 -34.36 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.516 0.326 . . . . 0.78 110.653 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.53 -59.04 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 122.931 0.492 . . . . 0.97 110.451 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -63.43 -19.34 64.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.774 1.398 . . . . 0.88 114.774 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.6 m -83.21 -40.78 19.2 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.75 0.704 . . . . 0.75 112.293 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -97.87 -21.91 16.64 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.201 0.815 . . . . 1.21 113.201 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.1 -18.22 63.16 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.325 0.861 . . . . 3.66 113.325 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -61.71 -33.98 74.98 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.229 0.468 . . . . 1.51 110.785 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.79 -24.09 12.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.108 0.563 . . . . 1.82 111.285 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.97 -21.64 65.96 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.345 0.869 . . . . 0.91 113.345 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -90.27 39.31 0.96 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.625 0.37 . . . . 2.05 111.177 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -114.43 -42.75 3.26 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.784 0.434 . . . . 1.91 111.946 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -115.52 102.24 9.62 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 112.782 0.66 . . . . 1.45 112.782 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 113.96 0.01 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 115.498 0.959 . . . . 1.1 115.498 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 57.6 151.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.355 1.062 . . . . 3.19 113.691 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -84.38 -33.93 23.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.739 -0.664 . . . . 1.24 112.103 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -99.97 43.65 1.05 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.485 0.55 . . . . 1.36 112.485 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 75.7 p -147.85 148.81 31.27 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 111.737 0.273 . . . . 1.36 111.737 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.79 136.17 37.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.077 0.551 . . . . 0.9 109.661 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t -74.37 157.89 34.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 111.893 0.331 . . . . 1.1 111.893 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.65 -33.2 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 116.075 -0.511 . . . . 0.81 112.127 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -88.91 -22.29 23.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.994 0.368 . . . . 0.95 111.994 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -84.11 -37.32 22.16 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.566 0.58 . . . . 1.61 112.566 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.89 -34.79 77.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.105 0.411 . . . . 0.78 110.984 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -59.43 -41.95 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.163 0.585 . . . . 0.9 110.745 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.02 -30.08 62.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.785 0.434 . . . . 0.69 111.168 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.01 -32.78 74.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.695 0.398 . . . . 0.88 110.935 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.64 -29.57 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 122.916 0.486 . . . . 0.62 110.892 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -106.08 41.88 1.34 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 122.912 0.485 . . . . 0.83 111.501 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -162.59 -59.99 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 O-C-N 122.276 -0.265 . . . . 1.3 111.401 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.69 -11.74 15.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.149 0.796 . . . . 0.84 113.149 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tp -134.31 44.89 1.31 Allowed Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 112.348 0.499 . . . . 0.88 112.348 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -85.03 -36.55 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 122.312 2.008 . . . . 0.52 115.642 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.28 -33.38 63.24 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.148 0.425 . . . . 0.95 112.148 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.84 -59.52 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.879 0.472 . . . . 1.22 111.199 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.35 111.01 23.46 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.004 -0.739 . . . . 0.84 109.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -28.93 66.73 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.096 0.776 . . . . 1.78 113.096 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.18 77.84 6.88 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 120.78 0.324 . . . . 1.94 110.697 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 m -88.4 -24.46 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 112.682 0.623 . . . . 0.7 112.682 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.81 -59.16 1.14 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-O 119.837 -0.424 . . . . 0.67 113.378 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.0 t -75.09 82.81 2.29 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.171 0.51 . . . . 1.26 111.476 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 -13.17 58.93 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.782 0.66 . . . . 1.59 112.782 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.39 -39.71 67.51 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.66 0.985 . . . . 0.73 113.66 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.9 -31.33 72.21 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.161 0.437 . . . . 1.1 111.249 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.11 47.25 1.22 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 122.808 0.443 . . . . 1.93 111.102 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttp -138.53 -49.98 0.55 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.454 0.302 . . . . 1.04 110.636 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -70.32 -34.03 72.21 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.071 0.232 . . . . 3.0 110.422 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -71.94 -31.9 66.79 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.685 0.394 . . . . 1.0 111.692 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.21 -60.7 2.12 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 110.154 -0.313 . . . . 0.97 110.154 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.28 71.2 10.54 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.313 0.578 . . . . 1.32 109.513 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -72.99 -29.61 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 115.608 -0.723 . . . . 0.83 112.066 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -75.08 -23.01 57.95 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.057 0.392 . . . . 1.65 112.057 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 65.61 74.81 0.36 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.442 0.697 . . . . 2.44 111.594 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.93 12.4 0.86 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 112.961 0.726 . . . . 1.3 112.961 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 62.5 m 58.6 24.79 12.43 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.217 0.821 . . . . 1.67 113.217 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -138.16 101.85 4.51 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.141 -0.688 . . . . 2.4 109.141 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.86 87.97 7.16 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.485 0.314 . . . . 1.43 111.837 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -67.15 174.94 2.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.903 -0.777 . . . . 2.2 108.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -66.57 -20.47 66.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.285 0.948 . . . . 1.47 111.447 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.91 -31.75 56.92 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.697 -0.483 . . . . 1.32 109.697 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.64 -48.08 9.85 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.905 0.482 . . . . 0.93 109.993 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.53 -21.08 66.58 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.592 0.757 . . . . 0.75 110.354 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -32.5 -49.07 0.2 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.224 1.81 . . . . 1.87 113.959 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.61 -36.32 71.61 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.758 0.651 . . . . 2.72 112.758 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -74.59 -39.52 62.15 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.341 -0.362 . . . . 0.62 111.259 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.54 -31.36 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 109.875 -0.417 . . . . 1.18 109.875 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.11 -40.21 88.31 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.681 -0.968 . . . . 0.44 110.681 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.8 -26.5 61.53 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 122.993 0.517 . . . . 0.91 111.174 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.01 -58.72 7.42 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.833 0.453 . . . . 0.89 110.87 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.43 -15.95 56.96 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.97 0.729 . . . . 1.12 112.97 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -84.14 -37.4 21.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.035 0.38 . . . . 1.54 110.541 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.56 26.13 6.43 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.774 0.657 . . . . 1.68 112.774 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -39.02 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.578 -0.897 . . . . 0.92 108.578 176.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -103.16 -33.46 9.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.18 0.592 . . . . 2.09 111.919 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -128.61 62.13 1.47 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.314 0.487 . . . . 1.96 112.314 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -73.61 -42.5 61.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 122.391 -0.193 . . . . 2.66 110.89 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -128.02 73.13 1.44 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.335 -0.617 . . . . 1.65 109.335 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.95 69.8 2.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.384 0.611 . . . . 1.72 111.072 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 tp -162.0 -53.23 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.493 -0.776 . . . . 1.56 110.968 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -100.55 -41.41 6.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.819 0.447 . . . . 1.86 111.209 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 pt -120.6 125.26 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.092 0.557 . . . . 1.25 110.208 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -142.19 36.15 1.53 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.431 0.53 . . . . 2.97 112.431 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -162.23 103.5 1.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.158 0.429 . . . . 2.3 112.158 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.227 -0.892 . . . . 2.1 110.383 178.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.45 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.458 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 112.704 0.631 . . . . 3.15 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 155.88 16.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.351 0.26 . . . . 1.19 111.469 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 118.29 36.37 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 122.803 0.441 . . . . 1.01 110.76 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.77 132.79 20.58 Favored Pre-proline 0 N--CA 1.477 0.903 0 CA-C-O 119.125 -0.464 . . . . 1.02 110.842 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -63.43 126.62 18.05 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.392 2.061 . . . . 0.95 112.374 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.3 mt -124.75 -154.64 0.63 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.18 0.592 . . . . 1.29 110.313 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -56.91 156.7 6.41 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.438 0.563 . . . . 1.34 111.595 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -36.64 -53.06 0.9 Allowed 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 114.667 1.358 . . . . 1.42 114.667 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.7 -43.29 76.35 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.104 0.411 . . . . 0.77 111.571 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.27 -31.25 71.95 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.268 0.355 . . . . 1.03 111.297 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -80.04 -25.31 40.21 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.986 0.515 . . . . 0.81 112.018 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.6 m -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 117.762 0.255 . . . . 1.04 110.569 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.76 -18.55 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.484 0.314 . . . . 1.07 111.535 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -72.8 -41.86 64.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.287 0.635 . . . . 1.0 110.845 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 m -59.19 -28.12 66.34 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 122.824 0.449 . . . . 1.16 111.597 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.86 -26.99 38.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.976 0.51 . . . . 0.64 111.184 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.26 40.38 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.319 0 C-N-CA 123.039 0.536 . . . . 0.95 110.913 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -149.05 -49.53 0.15 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.459 0.54 . . . . 0.93 112.459 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -62.99 -53.66 50.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.087 0.403 . . . . 0.76 112.087 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -100.79 8.86 43.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.306 0.484 . . . . 1.1 112.306 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -68.38 -28.93 67.54 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.332 0.515 . . . . 3.79 111.101 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m -63.05 -39.7 95.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.616 0.367 . . . . 1.74 110.73 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.89 -26.88 33.77 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.442 0.297 . . . . 1.82 111.041 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.82 75.14 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.342 0.497 . . . . 1.0 112.342 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -81.84 -1.83 48.88 Favored 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 113.15 0.796 . . . . 1.8 113.15 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -65.05 -42.53 94.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.255 0.48 . . . . 2.01 111.102 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -94.11 -176.7 4.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.04 0.536 . . . . 1.59 110.484 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.38 151.2 8.03 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.304 0.482 . . . . 1.2 114.304 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 63.29 115.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.929 0.892 . . . . 3.16 111.252 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.66 -37.59 86.93 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.309 0.485 . . . . 1.46 112.309 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -94.49 30.74 1.91 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 111.922 0.341 . . . . 1.43 111.922 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 t -135.42 156.6 48.65 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 122.978 0.511 . . . . 1.33 111.148 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.16 151.9 25.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.854 0.462 . . . . 0.88 110.13 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -80.55 157.48 26.07 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 110.596 -0.149 . . . . 0.99 110.596 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -30.86 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 112.058 0.392 . . . . 0.73 112.058 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -90.56 -32.35 16.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.649 0.38 . . . . 0.92 111.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.62 -35.61 65.36 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.396 0.517 . . . . 1.54 112.396 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -35.89 82.44 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.851 0.296 . . . . 0.79 110.396 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -63.63 -39.4 94.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.847 0.459 . . . . 0.97 110.895 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.06 -32.54 73.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.516 0.326 . . . . 0.73 110.993 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.8 tp -66.73 -31.61 72.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.585 0.354 . . . . 0.84 111.007 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -81.4 -21.7 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.733 0.413 . . . . 0.61 111.756 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -110.43 34.48 3.91 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 118.146 0.43 . . . . 0.8 112.108 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.27 -48.63 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.485 0.55 . . . . 1.41 112.485 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -110.14 -21.81 12.09 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.709 0.633 . . . . 0.97 112.709 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -128.8 40.62 0.62 Allowed Pre-proline 0 CA--C 1.565 1.544 0 N-CA-C 112.4 0.519 . . . . 0.85 112.4 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.76 -37.24 0.27 Allowed 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.054 1.836 . . . . 0.52 114.496 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -69.25 -27.21 65.25 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.216 0.45 . . . . 0.98 112.216 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.2 -61.58 1.78 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.086 0.154 . . . . 1.12 110.9 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -84.84 113.79 21.62 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 108.695 -0.854 . . . . 0.94 108.695 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -34.26 51.89 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.312 0.856 . . . . 1.91 113.312 -178.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -106.86 116.89 32.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.748 0.419 . . . . 2.08 110.292 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.9 m -105.49 -34.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 112.393 0.516 . . . . 0.75 112.393 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.94 -53.87 5.58 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 120.002 -0.332 . . . . 0.83 113.292 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 t -88.26 74.84 8.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.169 0.509 . . . . 1.26 110.836 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -2.72 57.62 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.871 -0.604 . . . . 1.59 111.453 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.85 -23.24 66.14 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.426 0.899 . . . . 0.77 113.426 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.88 -42.36 97.51 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.03 0.377 . . . . 1.09 111.179 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.58 -27.02 17.62 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.377 0.423 . . . . 1.92 111.818 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.2 ttp -56.82 -34.4 67.69 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.375 0.509 . . . . 1.09 112.375 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.71 -39.39 93.57 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.533 0.333 . . . . 3.13 111.32 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -68.83 -32.98 73.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.433 0.293 . . . . 1.0 111.373 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 54.6 mt -71.82 -54.97 8.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.57 0.348 . . . . 0.96 110.609 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.0 64.86 4.72 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.982 0.42 . . . . 1.39 110.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -89.81 -35.03 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.957 -0.565 . . . . 0.82 110.262 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.79 -33.19 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.747 0.419 . . . . 1.74 110.011 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 64.44 82.57 0.18 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.118 0.967 . . . . 2.45 111.94 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.49 18.88 0.93 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.849 -0.614 . . . . 1.41 111.846 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.9 t 58.79 25.58 13.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.707 0.803 . . . . 1.61 113.003 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -144.37 127.01 16.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.676 -0.491 . . . . 2.42 109.676 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -104.61 82.26 1.88 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.007 0.432 . . . . 1.23 110.883 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -68.18 156.82 36.75 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.757 -0.656 . . . . 2.35 109.61 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.39 -30.92 61.32 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.665 0.666 . . . . 1.43 112.059 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -67.56 -26.82 66.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 117.644 0.202 . . . . 1.24 110.952 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.29 -31.7 11.22 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.5 0.72 . . . . 1.03 111.194 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -82.78 -4.13 57.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.867 0.867 . . . . 0.79 112.385 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -17.94 64.97 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.113 0.415 . . . . 1.98 111.889 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 -64.29 -35.38 80.68 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 110.272 -0.27 . . . . 2.48 110.272 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.8 tp -81.59 -36.61 28.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 109.851 -0.425 . . . . 0.59 109.851 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mm -58.3 -41.69 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 122.725 0.41 . . . . 0.91 110.05 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.08 83.61 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 111.522 -0.631 . . . . 0.49 111.522 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.75 -21.44 61.02 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.304 0.642 . . . . 0.86 111.421 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 mp -66.5 -46.52 75.97 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.593 -0.521 . . . . 0.95 109.593 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.97 -12.21 55.65 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.926 -0.579 . . . . 1.12 111.954 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -89.18 -44.21 10.46 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 122.56 0.344 . . . . 1.46 110.567 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.2 51.41 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.118 0.485 . . . . 1.65 110.849 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.56 -42.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.536 0.734 . . . . 0.93 109.561 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.23 -29.49 9.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.044 0.537 . . . . 2.16 111.248 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -120.06 33.73 5.49 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.752 0.649 . . . . 1.87 112.752 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 122.027 -0.421 . . . . 2.47 110.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -142.23 57.84 1.46 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.944 -0.761 . . . . 1.83 108.944 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.63 -27.91 69.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.022 0.749 . . . . 1.81 113.022 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.93 -35.6 78.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 111.919 0.34 . . . . 1.45 111.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -96.54 -60.9 1.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.721 0.408 . . . . 2.03 111.415 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.72 145.69 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 122.855 0.462 . . . . 1.24 110.94 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -147.29 50.34 1.09 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.985 0.735 . . . . 2.8 112.985 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -172.34 120.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.63 0.372 . . . . 2.08 111.527 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.009 0.433 . . . . 1.94 110.659 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 CA--C 1.552 1.051 0 N-CA-C 111.953 0.353 . . . . 2.04 111.953 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.36 140.06 43.0 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 123.011 0.524 . . . . 0.9 110.946 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.31 133.31 36.62 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 111.44 0.163 . . . . 1.0 111.44 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -136.77 147.24 58.55 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 122.94 0.496 . . . . 1.1 111.632 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 142.05 70.69 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.729 2.286 . . . . 1.08 113.171 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -141.44 -51.49 0.43 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 111.879 0.326 . . . . 1.32 111.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -146.98 164.32 33.35 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.255 0.622 . . . . 1.51 109.964 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -51.69 -43.29 62.7 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.689 0.625 . . . . 1.51 112.689 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.53 -38.35 26.37 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.578 0.172 . . . . 0.84 111.278 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.08 -29.38 69.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.216 0.206 . . . . 0.95 110.671 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.33 -29.27 42.25 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.138 0.575 . . . . 0.85 110.695 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -57.25 -49.98 74.32 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.452 0.301 . . . . 1.04 111.526 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.4 -27.47 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 116.678 -0.237 . . . . 1.1 111.435 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.61 -36.86 70.94 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.956 0.503 . . . . 1.0 111.63 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -60.38 -33.43 72.45 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.626 0.37 . . . . 1.34 111.707 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -69.77 -29.86 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.306 0.242 . . . . 0.78 110.394 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.8 -49.81 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 122.794 0.437 . . . . 0.97 110.876 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -70.3 -43.08 71.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.784 1.031 . . . . 0.88 113.784 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -61.6 -31.28 71.34 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.026 0.75 . . . . 0.75 113.026 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -103.93 -13.93 16.17 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.507 0.928 . . . . 1.21 113.507 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.2 -24.65 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 118.934 0.788 . . . . 3.66 112.887 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -55.65 -39.82 71.38 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.699 0.399 . . . . 1.51 111.669 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.16 -29.47 12.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.786 0.435 . . . . 1.82 111.581 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.28 -30.72 64.94 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.413 0.894 . . . . 0.91 113.413 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -79.34 -9.45 59.59 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 113.329 0.863 . . . . 2.05 113.329 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.73 -51.36 70.08 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.297 0.499 . . . . 1.91 111.842 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -83.17 177.39 8.58 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.341 0.256 . . . . 1.45 110.567 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.75 150.87 21.39 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 119.942 -0.366 . . . . 1.1 113.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 66.35 127.16 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.934 0.894 . . . . 3.19 111.359 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -70.54 -50.71 34.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.155 0.182 . . . . 1.24 111.309 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -87.44 68.3 9.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.837 0.351 . . . . 1.36 111.089 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -160.61 157.57 27.49 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.167 -0.47 . . . . 1.36 111.536 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.21 144.09 43.29 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.066 0.547 . . . . 0.9 109.632 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -85.47 158.97 20.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 121.927 0.091 . . . . 1.1 110.765 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -70.38 -35.07 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 112.491 0.552 . . . . 0.81 112.491 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -87.42 -25.07 23.97 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 111.988 0.366 . . . . 0.95 111.988 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -79.75 -42.83 23.72 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.76 0.652 . . . . 1.61 112.76 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -30.43 71.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 117.872 0.306 . . . . 0.78 110.74 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -69.94 -39.1 76.28 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.953 0.501 . . . . 0.9 110.81 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.86 -35.5 74.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.733 0.413 . . . . 0.69 111.392 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.58 -35.44 79.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.641 0.377 . . . . 0.88 111.253 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.26 -26.41 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 C-N-CA 123.037 0.535 . . . . 0.62 111.385 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -109.17 36.29 2.96 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.709 0.403 . . . . 0.83 111.621 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -159.57 -54.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 111.918 0.34 . . . . 1.3 111.918 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -114.65 -3.07 12.92 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 113.238 0.829 . . . . 0.84 113.238 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tp -144.19 50.69 1.31 Allowed Pre-proline 0 CA--C 1.563 1.456 0 CA-C-N 118.538 0.608 . . . . 0.88 111.833 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -88.09 -39.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.309 2.006 . . . . 0.52 115.679 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -70.14 -32.14 69.99 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.825 0.676 . . . . 0.95 112.825 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.4 -58.78 5.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.443 0.297 . . . . 1.22 111.603 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -86.48 116.78 24.84 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.321 -0.622 . . . . 0.84 109.321 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.63 -40.32 52.82 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.763 1.023 . . . . 1.78 113.763 -178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -110.23 118.97 37.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 117.821 0.282 . . . . 1.94 110.306 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.9 m -104.38 -31.51 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 112.28 0.474 . . . . 0.7 112.28 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.36 -41.92 11.06 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.795 -0.447 . . . . 0.67 113.196 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -94.17 87.87 5.42 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.963 0.381 . . . . 1.26 111.485 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.14 32.84 5.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.953 0.501 . . . . 1.59 110.644 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.5 -37.83 22.58 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.175 0.19 . . . . 0.73 111.276 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.24 -33.33 75.73 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.514 0.326 . . . . 1.1 111.277 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -84.16 -43.63 14.78 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.866 0.467 . . . . 1.93 111.718 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.5 ttp -55.98 -45.67 78.91 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 112.606 0.595 . . . . 1.04 112.606 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -66.03 -33.36 75.63 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.478 0.311 . . . . 3.0 111.191 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -74.88 -29.6 61.05 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.77 0.428 . . . . 1.0 110.909 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 54.1 mt -74.63 -63.7 1.19 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.869 0.468 . . . . 0.97 111.275 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.07 85.26 6.33 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.941 0.4 . . . . 1.32 110.47 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.48 -34.55 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 115.835 -0.62 . . . . 0.83 111.96 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.75 -24.98 61.86 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.317 0.488 . . . . 1.65 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 64.91 82.62 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.994 0.918 . . . . 2.44 112.19 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -146.9 15.66 1.21 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.218 -0.901 . . . . 1.3 111.859 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t 76.57 -50.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.233 1.013 . . . . 1.67 112.568 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -78.0 127.6 32.59 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.801 0.44 . . . . 2.4 111.088 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -92.07 88.44 6.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.337 0.255 . . . . 1.43 110.371 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -61.32 159.32 12.62 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.913 0.485 . . . . 2.2 110.474 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.11 -27.62 68.87 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.493 0.588 . . . . 1.47 111.727 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -69.92 -20.3 63.36 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 110.099 -0.334 . . . . 1.32 110.099 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -102.78 -26.8 13.02 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.023 0.929 . . . . 0.93 111.346 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -83.1 -5.88 59.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.124 0.787 . . . . 0.75 113.124 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -15.96 60.07 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.878 0.763 . . . . 1.87 112.641 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 mmm-85 -65.8 -32.83 74.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.589 0.356 . . . . 2.72 110.866 178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 tp -83.6 -35.43 24.68 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 119.481 -0.295 . . . . 0.62 110.976 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.2 mm -55.27 -35.47 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 109.89 -0.411 . . . . 1.18 109.89 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.56 -35.9 39.85 Favored Glycine 0 C--N 1.355 1.603 0 N-CA-C 111.803 -0.519 . . . . 0.44 111.803 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.96 -33.54 75.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.929 0.492 . . . . 0.91 110.685 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.36 -50.6 64.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.037 0.535 . . . . 0.89 110.213 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.94 66.39 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.462 0.542 . . . . 1.12 112.462 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 -37.09 20.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.771 0.429 . . . . 1.54 111.815 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.3 -2.47 49.17 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.71 1.004 . . . . 1.68 113.71 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.87 -41.47 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.48 0.582 . . . . 0.92 110.754 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -36.41 7.61 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.229 0.455 . . . . 2.09 112.229 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -129.71 76.71 1.74 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.698 0.629 . . . . 1.96 112.698 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -95.32 -40.3 9.6 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.397 -0.594 . . . . 2.66 109.397 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -134.7 52.32 2.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.95 0.9 . . . . 1.65 108.654 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.6 -35.82 14.37 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.193 1.182 . . . . 1.72 114.193 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -73.97 -42.5 60.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.603 0.223 . . . . 1.56 111.603 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -75.69 -52.07 11.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.515 0.326 . . . . 1.86 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.7 pt -133.17 134.23 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.181 0.592 . . . . 1.25 110.728 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -135.8 43.15 2.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.569 0.348 . . . . 2.97 111.425 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.75 87.71 0.68 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.106 0.479 . . . . 2.3 111.783 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.1 tttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.172 -0.918 . . . . 2.1 110.325 179.186 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.466 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 113.143 0.794 . . . . 3.15 113.143 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.72 154.09 32.27 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 122.854 0.462 . . . . 1.19 111.391 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.28 27.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.315 -0.402 . . . . 1.01 111.213 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.77 142.45 25.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 123.017 0.527 . . . . 1.02 110.631 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.24 131.31 35.86 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.797 2.332 . . . . 0.95 113.69 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.0 mt -126.22 -157.8 0.82 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.185 0.594 . . . . 1.29 109.911 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -56.33 161.82 2.37 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.044 0.538 . . . . 1.34 111.539 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -48.19 -45.02 33.23 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 113.422 0.897 . . . . 1.42 113.422 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.9 -37.15 56.0 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 111.525 0.194 . . . . 0.77 111.525 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.18 -25.5 62.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.233 0.213 . . . . 1.03 110.731 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -83.99 -22.04 31.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.026 0.53 . . . . 0.81 111.524 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.8 m -56.84 -47.01 81.32 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 117.773 0.26 . . . . 1.04 110.796 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.33 -26.27 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.235 0.214 . . . . 1.07 111.041 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.03 -36.01 74.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.4 0.68 . . . . 1.0 112.123 179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -55.84 -39.73 71.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.83 0.452 . . . . 1.16 112.201 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.93 -30.49 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.647 -0.131 . . . . 0.64 110.647 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.65 -6.32 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 122.995 0.518 . . . . 0.95 111.594 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -111.62 -22.05 11.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.157 0.799 . . . . 0.93 113.157 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -91.19 -57.79 2.67 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.86 0.689 . . . . 0.76 112.86 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -83.42 -12.09 56.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.534 0.938 . . . . 1.1 113.534 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.57 -18.8 64.41 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 118.522 0.601 . . . . 3.79 112.564 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -67.73 -32.34 72.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.665 0.386 . . . . 1.74 110.537 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -98.92 -33.16 10.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.169 0.588 . . . . 1.82 111.514 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.11 72.97 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.038 0.755 . . . . 1.0 113.038 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -73.08 -17.5 61.41 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.971 0.73 . . . . 1.8 112.971 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -56.35 -37.84 70.56 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.264 0.626 . . . . 2.01 112.104 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -131.7 129.66 40.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.767 0.427 . . . . 1.59 111.441 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.95 95.37 0.04 OUTLIER Glycine 0 C--N 1.355 1.639 0 CA-C-O 119.741 -0.477 . . . . 1.2 114.169 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.94 -178.11 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.492 0.717 . . . . 3.16 112.419 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -99.18 -33.07 10.91 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.948 0.499 . . . . 1.46 111.549 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.87 44.3 1.23 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.553 0.341 . . . . 1.43 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.9 t -147.56 139.67 24.32 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.826 0.306 . . . . 1.33 111.826 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -85.49 156.32 20.84 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.023 0.529 . . . . 0.88 110.343 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -93.95 156.01 16.84 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.348 0.259 . . . . 0.99 110.464 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.92 -24.18 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 112.427 0.528 . . . . 0.73 112.427 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -98.67 -26.92 14.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.959 0.355 . . . . 0.92 111.959 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -40.28 42.03 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.04 0.385 . . . . 1.54 112.04 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -34.67 76.83 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.88 0.309 . . . . 0.79 111.12 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -66.45 -38.09 86.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.873 0.469 . . . . 0.97 111.633 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.56 -31.06 70.87 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.292 0.37 . . . . 0.73 111.542 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 tp -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 0.84 111.39 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -73.85 -27.91 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 122.818 0.447 . . . . 0.61 110.917 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -104.34 33.22 3.61 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.537 0.335 . . . . 0.8 111.859 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.35 -61.88 0.07 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.327 0.492 . . . . 1.41 112.327 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -102.1 -5.52 24.39 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.252 0.834 . . . . 0.97 113.252 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.9 51.85 2.33 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 122.609 0.364 . . . . 0.85 111.41 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -87.09 -40.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.128 1.886 . . . . 0.52 115.104 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -68.46 -31.29 70.48 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.663 0.616 . . . . 0.98 112.663 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 tp -65.62 -63.02 1.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 119.64 -0.219 . . . . 1.12 110.732 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.96 97.07 10.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.032 -0.729 . . . . 0.94 109.032 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -50.02 -33.79 19.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 113.307 0.855 . . . . 1.91 113.307 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.66 88.2 5.76 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.884 -0.413 . . . . 2.08 109.884 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.88 -27.34 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.28 0.474 . . . . 0.75 112.28 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.52 7.44 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-O 119.677 -0.513 . . . . 0.83 114.334 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.46 58.6 1.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.393 0.516 . . . . 1.26 112.393 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 63.47 4.48 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.149 0.5 . . . . 1.59 109.73 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.82 -38.62 4.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.848 -0.615 . . . . 0.77 111.506 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.77 -42.4 97.79 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.21 -0.292 . . . . 1.09 110.21 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.14 -42.15 76.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.905 -0.406 . . . . 1.92 109.905 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttp -56.16 -44.09 78.97 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.296 0.638 . . . . 1.09 111.566 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -36.0 78.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.736 0.414 . . . . 3.13 111.172 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -71.63 -34.42 69.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.224 0.61 . . . . 1.0 111.85 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.65 -64.33 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.227 0.211 . . . . 0.96 111.061 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.77 75.92 7.69 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.175 0.512 . . . . 1.39 110.128 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.93 -20.7 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 115.567 -0.742 . . . . 0.82 112.212 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -82.9 -25.7 32.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.696 0.399 . . . . 1.74 111.89 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 63.54 62.15 0.96 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.822 0.849 . . . . 2.45 111.515 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.41 15.11 6.09 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.559 -0.746 . . . . 1.41 111.412 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m 59.25 29.83 19.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 1.61 111.681 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -142.34 127.98 19.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.775 0.43 . . . . 2.42 111.008 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp -106.04 74.12 1.03 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.685 0.394 . . . . 1.23 110.326 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.49 162.96 22.08 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.057 -0.72 . . . . 2.35 109.057 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -24.99 33.88 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.402 0.89 . . . . 1.43 113.402 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.09 -33.57 67.98 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.287 0.494 . . . . 1.24 110.366 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.11 -43.6 11.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.216 0.606 . . . . 1.03 110.306 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.18 -20.21 66.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.615 0.766 . . . . 0.79 111.419 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -55.85 -25.36 41.71 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.608 0.763 . . . . 1.98 111.688 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -64.64 -34.09 77.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.395 0.278 . . . . 2.48 110.495 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.23 -32.65 49.9 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 109.826 -0.435 . . . . 0.59 109.826 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.29 -32.11 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.036 0.534 . . . . 0.91 111.121 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.64 84.6 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.293 -0.723 . . . . 0.49 111.293 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -73.84 -24.75 59.82 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.359 0.264 . . . . 0.86 110.396 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.98 -50.09 73.48 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.191 0.596 . . . . 0.95 110.849 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.98 -21.34 37.2 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.292 0.478 . . . . 1.12 112.292 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -79.99 -34.67 38.38 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.9 0.48 . . . . 1.46 111.756 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -88.53 13.72 11.4 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.101 0.778 . . . . 1.65 113.101 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -86.07 -46.72 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.547 0.612 . . . . 0.93 110.553 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.13 -38.17 8.25 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 119.255 -0.403 . . . . 2.16 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -116.92 61.42 0.73 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 121.001 0.429 . . . . 1.87 112.088 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -60.81 -34.94 75.29 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.769 -0.456 . . . . 2.47 109.769 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -160.72 69.6 0.37 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 108.156 -1.053 . . . . 1.83 108.156 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.05 -30.62 36.89 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.964 1.098 . . . . 1.81 113.964 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.08 -39.11 89.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 111.852 0.316 . . . . 1.45 111.852 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -89.41 -49.99 6.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.666 0.386 . . . . 2.03 111.081 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.66 125.44 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.082 0.553 . . . . 1.24 110.537 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -128.02 27.48 5.67 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.094 0.776 . . . . 2.8 113.094 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -161.76 97.21 1.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.849 0.357 . . . . 2.08 111.38 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.8 tttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 116.25 -0.432 . . . . 1.94 110.775 179.134 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 111.726 0.269 . . . . 2.04 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 121.57 43.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 122.957 0.503 . . . . 0.9 110.706 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.45 114.55 8.67 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.1 0.407 . . . . 1.0 112.1 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.4 138.63 19.78 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-O 119.037 -0.506 . . . . 1.1 110.37 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.23 133.78 60.14 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.937 2.425 . . . . 1.08 113.213 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -132.12 -146.91 0.3 Allowed 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 119.034 -0.507 . . . . 1.32 110.273 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -60.54 160.32 9.17 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.977 0.808 . . . . 1.51 111.299 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.34 -40.68 12.22 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.82 1.044 . . . . 1.51 113.82 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -77.3 -45.65 25.56 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.004 0.365 . . . . 0.84 111.445 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.75 -31.62 72.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.768 0.427 . . . . 0.95 111.085 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -73.5 -25.22 60.35 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.373 0.669 . . . . 0.85 111.391 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -60.2 -55.67 30.97 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.74 0.416 . . . . 1.04 111.021 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.08 -25.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 123.181 0.301 . . . . 1.1 111.285 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -67.41 -35.0 78.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.553 0.741 . . . . 1.0 111.397 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 59.7 m -62.41 -33.91 75.7 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.75 0.42 . . . . 1.34 111.669 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.28 -26.39 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.637 0.375 . . . . 0.78 111.48 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.27 12.03 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 122.743 0.417 . . . . 0.97 111.659 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -126.06 -45.45 1.71 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.168 0.587 . . . . 0.88 111.66 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -65.51 -43.51 89.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.645 0.378 . . . . 0.75 111.945 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.13 41.32 2.13 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.848 0.356 . . . . 1.21 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -97.14 -32.44 11.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.702 0.401 . . . . 3.66 111.07 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.1 m -66.41 -37.29 84.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.981 0.513 . . . . 1.51 111.811 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -82.52 -29.04 30.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 111.921 0.341 . . . . 1.82 111.921 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.64 77.46 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.345 0.498 . . . . 0.91 112.345 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -73.92 -22.13 59.8 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.805 1.039 . . . . 2.05 113.805 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -63.96 -27.5 69.18 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.38 0.881 . . . . 1.91 113.38 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -131.68 99.78 4.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.112 0.415 . . . . 1.45 111.766 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 109.85 0.2 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 114.373 0.509 . . . . 1.1 114.373 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.49 -176.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.706 1.002 . . . . 3.19 113.706 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -97.8 -52.91 3.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.992 0.517 . . . . 1.24 111.801 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.7 44.7 1.11 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.901 0.334 . . . . 1.36 111.901 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 91.1 p -147.38 127.36 13.63 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.407 0.283 . . . . 1.36 110.977 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -82.07 166.78 19.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.06 -0.518 . . . . 0.9 111.256 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -97.44 162.33 13.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.08 -0.341 . . . . 1.1 110.08 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.07 -25.95 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 112.484 0.55 . . . . 0.81 112.484 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -98.55 -27.95 13.8 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.46 0.541 . . . . 0.95 112.46 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.34 -30.31 53.84 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.685 0.624 . . . . 1.61 112.685 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -70.64 -36.78 73.61 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.283 0.492 . . . . 0.78 110.422 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -66.44 -35.43 80.27 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 122.67 0.388 . . . . 0.9 110.938 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.3 -33.78 76.51 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.243 -0.28 . . . . 0.69 110.243 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.37 -38.6 78.11 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 122.828 0.451 . . . . 0.88 110.349 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.38 -29.05 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.674 0.39 . . . . 0.62 111.47 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -102.47 25.49 8.97 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.274 0.472 . . . . 0.83 112.274 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -148.82 -58.13 0.22 Allowed 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.862 -0.524 . . . . 1.3 112.182 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -105.91 -15.49 14.9 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.281 0.845 . . . . 0.84 113.281 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 49.38 4.69 Favored Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 112.295 0.48 . . . . 0.88 112.295 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -85.94 -34.22 0.17 Allowed 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.582 2.188 . . . . 0.52 114.903 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -72.95 -31.49 64.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.599 0.592 . . . . 0.95 112.599 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.13 -56.27 8.17 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.028 0.131 . . . . 1.22 110.813 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -85.53 107.61 17.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.242 -0.651 . . . . 0.84 109.242 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -51.86 -34.92 42.9 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.007 1.114 . . . . 1.78 114.007 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -103.09 94.11 5.36 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.31 0.244 . . . . 1.94 111.543 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.82 -35.6 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 116.763 -0.199 . . . . 0.7 110.748 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.71 -45.09 5.58 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.391 0.432 . . . . 0.67 112.592 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -84.44 75.45 10.25 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 121.072 0.463 . . . . 1.26 110.594 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.39 -5.28 19.11 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.631 -0.713 . . . . 1.59 111.782 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.66 -31.86 73.1 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.905 0.705 . . . . 0.73 112.905 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.75 -37.46 86.42 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.483 0.313 . . . . 1.1 110.819 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -84.97 -47.09 10.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.525 0.33 . . . . 1.93 110.988 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -46.65 -47.07 20.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.404 0.89 . . . . 1.04 113.404 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -61.88 -35.6 78.79 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.724 0.238 . . . . 3.0 111.562 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.3 m -72.55 -28.12 62.64 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.064 0.228 . . . . 1.0 111.544 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.6 -57.86 3.81 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 110.16 -0.311 . . . . 0.97 110.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.19 84.6 7.42 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.402 0.438 . . . . 1.32 110.027 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -91.77 -28.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 115.592 -0.731 . . . . 0.83 112.099 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.74 -31.4 66.63 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.544 0.338 . . . . 1.65 111.3 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 66.9 75.1 0.32 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.909 0.884 . . . . 2.44 112.212 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -154.42 24.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.988 -0.551 . . . . 1.3 111.397 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t 54.49 38.89 30.54 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.444 0.698 . . . . 1.67 112.45 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -141.41 118.79 11.48 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.387 -0.37 . . . . 2.4 110.432 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.06 71.81 1.64 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.137 0.494 . . . . 1.43 110.292 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -66.46 158.54 29.25 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.799 -0.637 . . . . 2.2 109.594 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -51.42 -26.46 8.03 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.266 0.839 . . . . 1.47 113.266 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -75.81 -35.14 60.13 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 117.824 0.284 . . . . 1.32 110.347 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.96 -38.58 20.82 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.166 0.586 . . . . 0.93 110.432 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -73.88 -15.17 61.16 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.51 0.724 . . . . 0.75 110.933 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -53.68 -31.36 47.54 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.342 1.057 . . . . 1.87 112.848 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -65.48 -35.47 81.0 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.969 0.35 . . . . 2.72 111.408 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.42 -33.42 54.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 119.382 -0.342 . . . . 0.62 111.094 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.45 -36.29 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 110.25 -0.278 . . . . 1.18 110.25 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.99 71.8 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.98 -0.448 . . . . 0.44 111.98 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.34 -30.86 69.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.64 0.376 . . . . 0.91 110.524 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.59 -41.85 98.31 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.17 0.294 . . . . 0.89 110.363 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.84 52.23 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.089 0.774 . . . . 1.12 113.089 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -25.93 48.74 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.451 0.538 . . . . 1.54 112.451 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -96.57 13.33 28.51 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.433 0.901 . . . . 1.68 113.433 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -46.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 118.798 0.727 . . . . 0.92 111.117 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.99 -31.7 10.99 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 112.153 0.427 . . . . 2.09 112.153 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -127.34 61.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.544 0.572 . . . . 1.96 112.544 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -40.39 79.22 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 110.207 -0.294 . . . . 2.66 110.207 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -138.25 66.81 1.43 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 109.054 -0.721 . . . . 1.65 109.054 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.96 -31.07 49.44 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.488 1.292 . . . . 1.72 114.488 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 tp -77.9 -36.14 49.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.685 0.624 . . . . 1.56 112.685 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -88.61 -56.96 3.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.557 0.343 . . . . 1.86 111.215 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.02 131.14 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.207 0.603 . . . . 1.25 110.785 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -147.12 51.41 1.08 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.867 0.691 . . . . 2.97 112.867 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.27 34.24 0.28 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.244 0.461 . . . . 2.3 112.244 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.4 tttp . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.178 -0.915 . . . . 2.1 111.262 -179.408 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.468 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.412 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 112.331 0.493 . . . . 3.15 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.38 155.64 20.99 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.009 0.524 . . . . 1.19 111.492 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 135.63 37.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.267 -0.424 . . . . 1.01 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -124.03 142.04 38.66 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 122.851 0.461 . . . . 1.02 111.009 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.17 132.25 33.37 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.748 2.298 . . . . 0.95 113.15 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 mt -130.25 -135.19 0.21 Allowed 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.283 0.633 . . . . 1.29 109.505 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -62.68 164.52 7.61 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.102 0.865 . . . . 1.34 111.365 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.61 -41.5 63.73 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.026 0.75 . . . . 1.42 113.026 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.94 -38.72 64.17 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.725 0.239 . . . . 0.77 110.887 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 -29.73 64.63 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.05 0.54 . . . . 1.03 111.525 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -78.43 -21.61 48.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.824 0.449 . . . . 0.81 111.639 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -59.68 -55.58 32.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.824 0.449 . . . . 1.04 111.314 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.08 -20.96 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 111.878 0.325 . . . . 1.07 111.878 178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -68.47 -31.58 70.97 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.072 0.549 . . . . 1.0 111.385 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -59.76 -39.34 84.48 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.902 0.481 . . . . 1.16 112.068 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.17 -26.89 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.201 0.2 . . . . 0.64 111.267 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.16 -13.51 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 112.427 0.529 . . . . 0.95 112.427 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.9 p -112.78 -12.15 13.39 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.265 0.839 . . . . 0.93 113.265 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -97.39 -59.78 1.71 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.357 0.526 . . . . 0.76 112.26 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -85.48 -36.39 20.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.997 0.74 . . . . 1.1 112.997 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -58.64 -23.02 58.28 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.874 0.694 . . . . 3.79 112.874 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -63.0 -31.39 72.51 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.591 0.356 . . . . 1.74 111.072 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.37 -31.89 12.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.105 0.562 . . . . 1.82 111.727 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 0.59 35.17 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.151 1.167 . . . . 1.0 114.151 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -82.5 -13.85 55.98 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 113.154 0.798 . . . . 1.8 113.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -73.48 -41.22 63.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.326 0.862 . . . . 2.01 113.326 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -99.06 111.26 23.7 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.589 0.589 . . . . 1.59 112.589 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.71 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.849 1.1 . . . . 1.2 115.849 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 61.82 156.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.618 0.97 . . . . 3.16 113.618 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.17 -34.04 22.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.871 0.468 . . . . 1.46 111.355 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -101.42 50.13 0.86 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.831 0.452 . . . . 1.43 110.265 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 t -155.77 141.05 17.58 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.278 -0.419 . . . . 1.33 111.536 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.32 149.27 21.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.388 0.675 . . . . 0.88 110.289 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -88.04 151.45 22.74 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.503 0.186 . . . . 0.99 111.503 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.4 -29.54 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 112.942 0.719 . . . . 0.73 112.942 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -96.29 -33.04 12.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.052 0.389 . . . . 0.92 112.052 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.24 -41.67 69.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.174 0.435 . . . . 1.54 112.174 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -34.83 79.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.737 0.244 . . . . 0.79 110.962 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -64.73 -41.96 95.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.02 0.528 . . . . 0.97 111.047 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.2 -27.98 64.93 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.215 0.322 . . . . 0.73 111.65 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.3 tp -67.79 -37.39 81.97 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.666 0.386 . . . . 0.84 111.271 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.02 -26.79 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.55 0.34 . . . . 0.61 111.707 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -104.65 21.99 15.86 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.416 0.524 . . . . 0.8 112.416 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -139.81 -62.42 0.52 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.307 0.503 . . . . 1.41 111.766 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -106.17 1.16 25.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.851 0.686 . . . . 0.97 112.851 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.84 45.04 0.64 Allowed Pre-proline 0 CA--C 1.562 1.415 0 N-CA-C 112.02 0.378 . . . . 0.85 112.02 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.22 -36.22 0.3 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.065 1.843 . . . . 0.52 114.377 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -72.23 -35.34 68.82 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.645 0.378 . . . . 0.98 111.949 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.46 -57.25 9.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.551 0.34 . . . . 1.12 110.747 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -102.4 95.85 6.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.589 -0.893 . . . . 0.94 108.589 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -56.49 -28.83 60.82 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.131 0.789 . . . . 1.91 113.131 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -84.61 85.68 7.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.392 0.277 . . . . 2.08 111.303 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.0 -37.35 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.186 -0.461 . . . . 0.75 110.376 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.09 -30.19 23.52 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 112.029 -0.429 . . . . 0.83 112.029 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -95.81 50.94 1.23 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.033 0.533 . . . . 1.26 110.32 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.74 -21.16 23.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.974 0.51 . . . . 1.59 111.102 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -53.1 -34.09 55.1 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.886 0.698 . . . . 0.77 112.886 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.04 -40.46 96.35 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.162 0.185 . . . . 1.09 110.888 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -77.59 -40.71 41.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.837 0.455 . . . . 1.92 111.097 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -57.53 -38.85 75.36 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 1.09 111.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -61.99 -35.31 78.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.574 0.35 . . . . 3.13 111.762 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -75.2 -29.73 60.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.747 0.419 . . . . 1.0 111.839 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.51 -53.47 10.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.387 0.275 . . . . 0.96 111.086 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.45 78.6 4.91 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.957 0.408 . . . . 1.39 111.137 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.56 -36.91 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 115.884 -0.598 . . . . 0.82 110.796 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.12 -29.8 64.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.992 0.517 . . . . 1.74 110.977 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.34 71.54 0.53 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.307 1.043 . . . . 2.45 111.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -142.83 15.77 1.95 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.747 -0.66 . . . . 1.41 111.77 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t 60.33 28.18 17.78 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.643 0.777 . . . . 1.61 112.286 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -140.56 131.52 26.12 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.952 0.501 . . . . 2.42 110.186 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mp -108.63 86.51 2.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.546 0.202 . . . . 1.23 111.546 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -69.66 172.69 7.07 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.012 -0.736 . . . . 2.35 109.012 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -24.86 63.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.451 0.568 . . . . 1.43 111.773 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -71.77 -29.41 64.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 109.561 -0.533 . . . . 1.24 109.561 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -89.32 -42.04 11.8 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.708 0.803 . . . . 1.03 110.415 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -72.19 -11.4 60.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.528 0.731 . . . . 0.79 111.954 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -26.47 13.74 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.846 0.859 . . . . 1.98 113.082 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.3 mmm-85 -68.17 -38.61 82.25 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.077 0.399 . . . . 2.48 111.497 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.9 tp -80.83 -23.24 39.31 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 119.801 -0.142 . . . . 0.59 110.838 178.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.0 mm -67.1 -37.54 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.663 -0.495 . . . . 0.91 109.663 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.05 -39.29 73.73 Favored Glycine 0 C--N 1.354 1.553 0 N-CA-C 111.408 -0.677 . . . . 0.49 111.408 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.71 -16.26 61.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.575 0.35 . . . . 0.86 110.963 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.91 -52.1 58.26 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.263 0.625 . . . . 0.95 110.66 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.53 -8.63 54.47 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.358 0.503 . . . . 1.12 112.358 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.63 -37.26 19.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.413 0.285 . . . . 1.46 110.455 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -86.01 12.01 10.36 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.266 0.839 . . . . 1.65 113.266 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.51 -39.69 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 118.299 0.5 . . . . 0.93 109.904 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -101.42 -36.14 8.95 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.759 0.424 . . . . 2.16 111.781 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -130.98 75.25 1.65 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.09 0.471 . . . . 1.87 111.885 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -98.31 -53.41 3.36 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.041 -0.527 . . . . 2.47 110.049 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -113.72 51.75 0.84 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.287 -0.634 . . . . 1.83 109.287 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.11 73.94 1.74 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.441 0.639 . . . . 1.81 112.182 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -165.44 -50.99 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.525 -0.761 . . . . 1.45 110.287 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -100.7 -51.11 3.67 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.184 0.594 . . . . 2.03 110.543 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.3 pt -120.49 116.42 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.354 0.409 . . . . 1.24 110.81 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -135.71 63.64 1.59 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.898 0.38 . . . . 2.8 111.639 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -165.86 86.68 0.36 Allowed 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 116.148 -0.478 . . . . 2.08 111.804 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 115.967 -0.56 . . . . 1.94 110.274 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.05 0.389 . . . . 2.04 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 152.47 19.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.36 0.264 . . . . 0.9 111.485 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.56 121.0 27.64 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.981 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -105.13 141.13 21.93 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-O 119.071 -0.49 . . . . 1.1 110.332 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 140.9 94.73 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.078 2.519 . . . . 1.08 114.657 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.1 mt -136.23 -160.26 1.04 Allowed 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.427 0.691 . . . . 1.32 110.215 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -58.78 161.07 5.09 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 118.802 0.728 . . . . 1.51 111.384 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.42 -49.34 7.15 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.566 0.95 . . . . 1.51 113.566 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.56 -40.09 73.56 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 117.921 0.328 . . . . 0.84 111.449 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.94 -24.73 62.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.779 0.432 . . . . 0.95 111.532 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -87.18 -10.09 53.55 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.001 0.52 . . . . 0.85 112.387 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -60.51 -47.57 85.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.949 0.34 . . . . 1.04 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 pp -85.21 -21.88 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 122.33 0.252 . . . . 1.1 111.202 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -65.44 -40.04 92.8 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.232 0.613 . . . . 1.0 110.418 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -66.51 -31.67 72.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.723 0.409 . . . . 1.34 111.621 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.57 -36.29 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.359 0.264 . . . . 0.78 110.474 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -71.73 -50.75 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 122.407 0.283 . . . . 0.97 110.693 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.3 p -58.07 -37.24 74.06 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.18 1.178 . . . . 0.88 114.18 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -72.94 -31.93 64.93 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.558 0.948 . . . . 0.75 113.558 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -115.37 -3.7 12.42 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.59 1.33 . . . . 1.21 114.59 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -66.06 -36.15 82.44 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.774 1.17 . . . . 3.66 111.838 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -63.96 -35.28 80.17 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.297 0.239 . . . . 1.51 111.01 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -85.9 -25.34 26.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.79 0.436 . . . . 1.82 110.893 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.43 -20.7 62.08 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.969 0.508 . . . . 0.91 112.239 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -91.92 25.34 2.83 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.151 0.426 . . . . 2.05 112.151 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -87.07 -35.04 18.94 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.719 0.407 . . . . 1.91 110.844 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.92 -159.52 0.68 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.196 0.599 . . . . 1.45 110.35 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 145.39 46.25 Favored Glycine 0 C--N 1.358 1.776 0 CA-C-N 118.284 0.493 . . . . 1.1 114.223 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? 60.7 126.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.394 1.078 . . . . 3.19 112.534 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.34 -42.26 68.75 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.328 -0.397 . . . . 1.24 111.088 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.66 53.01 2.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.788 -0.449 . . . . 1.36 109.788 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -156.6 143.15 18.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 116.49 -0.323 . . . . 1.36 111.575 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.63 169.22 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.527 0.517 . . . . 0.9 110.387 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -105.61 159.84 15.65 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.573 0.349 . . . . 1.1 111.009 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.72 -25.51 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 N-CA-C 112.103 0.408 . . . . 0.81 112.103 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.97 -35.27 11.48 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.091 0.404 . . . . 0.95 112.091 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.83 -41.43 64.87 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.486 0.55 . . . . 1.61 112.486 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -33.12 74.88 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.928 0.331 . . . . 0.78 111.259 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -68.63 -36.79 79.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.77 0.428 . . . . 0.9 110.628 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.06 -30.77 55.71 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.667 0.387 . . . . 0.69 111.67 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.87 -34.92 79.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.668 0.387 . . . . 0.88 110.988 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.422 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 76.1 t -77.2 -25.32 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 122.914 0.485 . . . . 0.62 111.431 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 -6.72 55.28 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 113.308 0.855 . . . . 0.83 113.308 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -127.62 -51.46 1.37 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.99 0.737 . . . . 1.3 112.99 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -102.39 -8.35 21.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.146 1.165 . . . . 0.84 114.146 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.6 OUTLIER -142.29 48.32 1.07 Allowed Pre-proline 0 CA--C 1.562 1.424 0 CA-C-N 118.877 0.762 . . . . 0.88 111.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -84.53 -29.62 0.77 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.109 1.873 . . . . 0.52 114.905 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -75.22 -21.01 58.95 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.871 0.693 . . . . 0.95 112.871 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.49 -52.53 9.62 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.692 0.223 . . . . 1.22 111.052 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.6 107.45 19.9 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.916 -0.772 . . . . 0.84 108.916 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.71 66.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.332 0.864 . . . . 1.78 113.332 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -95.46 83.94 3.9 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.926 -0.398 . . . . 1.94 109.926 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -71.33 -28.92 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.177 -0.465 . . . . 0.7 112.038 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.69 -40.06 7.37 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.47 -0.628 . . . . 0.67 113.498 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -87.69 83.37 7.19 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.815 0.808 . . . . 1.26 111.215 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.1 7.51 19.69 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.612 -0.722 . . . . 1.59 110.802 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.48 -28.95 65.39 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.613 0.597 . . . . 0.73 112.613 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.21 -41.46 81.28 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.227 0.211 . . . . 1.1 111.27 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.1 -41.73 27.97 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.563 0.345 . . . . 1.93 110.945 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.1 ttp -51.88 -35.84 46.56 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.92 0.711 . . . . 1.04 112.92 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -67.57 -44.98 76.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.481 0.178 . . . . 3.0 111.481 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -72.27 -34.18 68.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.46 0.304 . . . . 1.0 111.76 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 28.2 mt -68.52 -55.94 10.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.176 0.191 . . . . 0.97 110.712 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.39 57.64 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.094 0.473 . . . . 1.32 110.202 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -80.65 -29.04 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 116.097 -0.502 . . . . 0.83 111.822 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -68.29 -25.08 64.96 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.026 0.53 . . . . 1.65 111.184 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 64.53 87.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.354 1.062 . . . . 2.44 112.404 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.2 35.31 0.2 Allowed 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.943 -0.571 . . . . 1.3 111.342 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m 63.21 -74.55 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.297 1.039 . . . . 1.67 113.343 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.03 142.2 45.75 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.114 0.415 . . . . 2.4 112.014 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.94 99.68 10.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.054 -0.521 . . . . 1.43 110.766 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -67.01 175.92 2.33 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.74 -0.647 . . . . 2.2 109.295 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -65.35 -25.0 67.39 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.717 1.144 . . . . 1.47 111.83 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.49 -34.88 72.86 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.256 -0.646 . . . . 1.32 109.256 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.03 -39.85 22.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 0.93 109.602 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -88.66 62.17 6.37 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.811 -1.181 . . . . 0.75 107.811 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -113.46 -46.37 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.365 1.066 . . . . 1.87 110.931 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -63.47 -29.37 70.66 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.98 0.733 . . . . 2.72 112.98 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -78.68 -28.72 45.3 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.012 0.369 . . . . 0.62 111.099 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 37.4 mm -68.72 -37.46 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.783 -0.821 . . . . 1.18 108.783 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.13 -42.01 78.17 Favored Glycine 0 C--N 1.357 1.735 0 N-CA-C 111.032 -0.827 . . . . 0.44 111.032 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.29 -26.89 64.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.89 0.476 . . . . 0.91 110.634 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.58 -51.29 70.07 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.17 0.588 . . . . 0.89 110.95 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.59 -15.59 39.36 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.559 0.577 . . . . 1.12 112.559 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -79.82 -44.12 21.14 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.124 0.42 . . . . 1.54 110.79 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.65 -26.38 61.63 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.207 0.447 . . . . 1.68 112.207 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -37.94 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 122.787 0.435 . . . . 0.92 111.954 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -107.68 -40.8 5.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.433 0.531 . . . . 2.09 112.433 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -124.81 69.86 1.12 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.473 0.545 . . . . 1.96 112.473 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -82.75 -41.28 19.42 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.193 -0.458 . . . . 2.66 110.505 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -139.05 63.41 1.51 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.962 -0.755 . . . . 1.65 108.962 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.76 76.41 3.39 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.229 -0.896 . . . . 1.72 113.235 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 tp -159.9 -53.07 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.695 -0.684 . . . . 1.56 110.088 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -92.91 -44.34 8.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.135 0.574 . . . . 1.86 110.095 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 pt -126.35 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.953 0.501 . . . . 1.25 110.929 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -162.57 57.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.581 0.353 . . . . 2.97 111.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -163.02 52.04 0.17 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.144 0.424 . . . . 2.3 112.144 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 40.0 tttp . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.228 -0.892 . . . . 2.1 110.245 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.441 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.442 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptt? . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.503 0.668 . . . . 3.15 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.52 135.21 18.61 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.234 -0.893 . . . . 1.19 110.174 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 108.51 19.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.071 0.148 . . . . 1.01 110.906 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.45 139.71 21.38 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 122.817 0.447 . . . . 1.02 110.892 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 134.52 46.22 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.636 2.224 . . . . 0.95 113.276 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.7 mt -134.34 -137.32 0.17 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 118.826 -0.607 . . . . 1.29 109.761 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 167.95 2.7 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 119.277 0.944 . . . . 1.34 111.392 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.48 -44.3 68.89 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.066 0.765 . . . . 1.42 113.066 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -76.34 -36.0 58.47 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.632 0.197 . . . . 0.77 111.292 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -73.77 -30.15 62.61 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.617 0.367 . . . . 1.03 111.0 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.88 -29.21 58.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.884 0.474 . . . . 0.81 110.491 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -62.47 -50.01 73.14 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 122.548 0.339 . . . . 1.04 110.531 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -72.59 -16.69 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 112.037 0.384 . . . . 1.07 112.037 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -80.95 -42.27 21.54 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.336 0.654 . . . . 1.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -59.57 -35.5 74.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.932 0.493 . . . . 1.16 112.082 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.07 -30.13 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 110.148 -0.316 . . . . 0.64 110.148 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -78.31 -64.69 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 122.807 0.443 . . . . 0.95 111.209 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -54.17 -35.76 62.65 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 115.144 1.535 . . . . 0.93 115.144 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -67.33 -42.37 83.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 113.688 0.996 . . . . 0.76 113.688 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -106.81 -19.59 13.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.21 1.189 . . . . 1.1 114.21 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.64 -20.5 65.34 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.296 0.953 . . . . 3.79 112.556 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.7 m -64.75 -35.15 80.15 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 118.181 0.446 . . . . 1.74 110.972 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -99.08 -24.66 14.81 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.173 0.589 . . . . 1.82 112.047 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.71 -23.48 42.32 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 113.147 0.795 . . . . 1.0 113.147 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.74 -17.5 64.06 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.55 0.944 . . . . 1.8 113.55 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -28.21 66.65 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.35 0.87 . . . . 2.01 113.35 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -118.74 127.18 53.31 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.751 0.649 . . . . 1.59 112.751 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.22 95.59 0.01 OUTLIER Glycine 0 C--N 1.357 1.75 0 N-CA-C 114.704 0.642 . . . . 1.2 114.704 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 60.62 169.77 0.09 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.44 0.696 . . . . 3.16 111.875 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -83.01 -59.33 2.52 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.496 -0.32 . . . . 1.46 111.428 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.14 67.19 5.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.988 0.423 . . . . 1.43 110.952 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -159.79 131.27 6.06 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.846 -0.616 . . . . 1.33 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.91 156.59 24.7 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.33 -0.248 . . . . 0.88 110.33 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -96.78 151.47 19.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.457 -0.201 . . . . 0.99 110.457 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.62 -27.94 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 112.695 0.628 . . . . 0.73 112.695 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -96.95 -33.93 11.4 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.409 0.522 . . . . 0.92 112.409 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.1 -41.96 73.34 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.188 0.44 . . . . 1.54 112.188 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -32.98 74.64 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.539 0.154 . . . . 0.79 110.938 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.06 -37.91 81.26 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.133 0.573 . . . . 0.97 111.623 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.35 -32.53 66.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.21 0.204 . . . . 0.73 111.303 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.7 -39.92 94.48 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.839 0.455 . . . . 0.84 111.914 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.35 -27.66 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 111.994 0.368 . . . . 0.61 111.994 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -102.27 21.16 15.49 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 112.158 0.429 . . . . 0.8 112.158 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -147.65 -57.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.796 -0.565 . . . . 1.41 112.461 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.18 -12.85 18.43 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.822 0.675 . . . . 0.97 112.822 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.37 48.41 1.91 Allowed Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 118.171 0.441 . . . . 0.85 111.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.91 -29.1 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.066 1.844 . . . . 0.52 114.391 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.57 -20.71 53.62 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.665 0.617 . . . . 0.98 112.665 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -73.74 -56.3 5.16 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 117.918 0.326 . . . . 1.12 110.789 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -91.1 114.77 27.38 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.836 -0.802 . . . . 0.94 108.836 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 -34.35 67.91 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.697 0.999 . . . . 1.91 113.697 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.05 89.09 3.03 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 120.936 0.398 . . . . 2.08 110.361 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.05 -28.97 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.081 -0.508 . . . . 0.75 111.837 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.58 -57.78 4.08 Favored Glycine 0 C--N 1.351 1.379 0 O-C-N 123.213 0.32 . . . . 0.83 113.048 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -85.64 88.08 7.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.766 0.317 . . . . 1.26 111.218 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.71 3.69 21.17 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.142 -0.481 . . . . 1.59 111.462 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.19 -29.02 66.92 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 112.773 0.657 . . . . 0.77 112.773 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.82 -40.01 93.8 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.683 0.22 . . . . 1.09 110.871 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -87.81 -34.85 18.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.496 0.319 . . . . 1.92 110.751 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.6 ttp -57.67 -36.96 72.61 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.547 0.339 . . . . 1.09 111.429 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -65.81 -33.5 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 122.887 0.117 . . . . 3.13 110.709 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.0 m -75.48 -28.62 59.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.408 0.283 . . . . 1.0 110.541 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.2 mt -73.21 -61.67 1.74 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 122.414 0.286 . . . . 0.96 110.389 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -83.9 70.86 10.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.213 0.53 . . . . 1.39 109.903 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.29 -19.34 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.427 -0.806 . . . . 0.82 111.82 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -84.87 -14.38 48.03 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.248 0.462 . . . . 1.74 112.248 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 59.11 51.53 6.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.437 0.695 . . . . 2.45 111.482 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.44 2.24 12.42 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.734 -0.666 . . . . 1.41 112.078 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 t 64.02 25.97 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.385 0.674 . . . . 1.61 111.632 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -140.52 126.9 19.96 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.092 0.557 . . . . 2.42 110.0 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mp -98.47 69.76 1.93 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.991 0.424 . . . . 1.23 110.058 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -65.65 159.17 25.47 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.849 -0.614 . . . . 2.35 109.731 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.81 -30.59 61.62 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.145 1.165 . . . . 1.43 114.145 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -70.2 -32.85 70.95 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.071 0.396 . . . . 1.24 110.183 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.3 -35.17 15.42 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.379 0.672 . . . . 1.03 110.856 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -78.99 -2.33 39.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.264 1.025 . . . . 0.79 112.537 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.23 66.54 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.564 0.579 . . . . 1.98 112.564 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.4 mmm-85 -66.3 -31.9 72.99 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.002 0.364 . . . . 2.48 111.442 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.3 tp -81.69 -29.22 33.12 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 119.521 -0.275 . . . . 0.59 110.286 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.59 -38.78 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 109.396 -0.594 . . . . 0.91 109.396 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.83 88.94 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 111.551 -0.62 . . . . 0.49 111.551 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -76.76 -23.28 52.95 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 122.637 0.375 . . . . 0.86 110.657 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.06 -52.33 59.87 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.861 0.464 . . . . 0.95 110.243 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.06 -32.08 61.42 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.53 0.567 . . . . 1.12 112.53 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -75.17 -25.29 58.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.28 0.474 . . . . 1.46 112.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -99.47 33.41 2.48 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -39.86 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 122.448 0.299 . . . . 0.93 110.417 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.87 -28.06 10.85 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.244 0.461 . . . . 2.16 112.244 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -131.04 45.42 2.82 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.288 0.477 . . . . 1.87 112.288 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.02 89.53 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 122.218 -0.301 . . . . 2.47 111.611 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -127.29 67.42 1.29 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.321 -0.622 . . . . 1.83 109.321 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.99 76.52 1.69 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.175 0.512 . . . . 1.81 111.208 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -167.99 -52.25 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.885 -0.598 . . . . 1.45 110.659 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -100.27 -50.01 4.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.999 0.52 . . . . 2.03 110.806 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.2 pt -107.28 141.04 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 122.813 0.445 . . . . 1.24 111.177 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.77 38.26 0.37 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.622 0.601 . . . . 2.8 112.622 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -161.55 94.03 0.95 Allowed 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 120.878 0.371 . . . . 2.08 110.901 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 122.985 0.514 . . . . 1.94 110.741 -179.422 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 111.953 0.353 . . . . 2.04 111.953 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.94 146.92 46.13 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.12 0.568 . . . . 0.9 110.738 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.58 126.01 44.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.753 0.421 . . . . 1.0 111.135 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -118.62 145.2 36.99 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 122.965 0.506 . . . . 1.1 111.198 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -76.56 127.21 9.49 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.357 2.038 . . . . 1.08 111.393 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.3 mt -126.08 -60.37 1.28 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.723 0.409 . . . . 1.32 111.476 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -122.35 161.56 23.18 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.299 0.64 . . . . 1.51 109.862 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.44 -30.78 67.19 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.926 0.713 . . . . 1.51 112.926 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -83.55 -36.06 24.29 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 117.809 0.277 . . . . 0.84 110.997 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.46 -30.4 61.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.568 0.347 . . . . 0.95 110.976 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.41 -29.8 68.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.116 0.566 . . . . 0.85 111.234 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -59.31 -56.76 17.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.87 0.468 . . . . 1.04 111.052 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.69 -27.78 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 123.08 0.237 . . . . 1.1 111.429 178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -68.4 -39.24 81.74 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.646 0.379 . . . . 1.0 111.413 178.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -60.06 -37.73 80.73 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.598 0.359 . . . . 1.34 111.203 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 51.4 t -75.21 -31.39 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 122.532 0.333 . . . . 0.78 110.235 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -84.29 -1.14 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.417 0 C-N-CA 123.275 0.63 . . . . 0.97 112.097 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.2 p -119.34 -40.13 2.83 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.452 0.538 . . . . 0.88 112.452 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -72.43 -52.1 17.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.431 0.53 . . . . 0.75 112.431 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -81.97 -27.29 33.29 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.808 0.669 . . . . 1.21 112.808 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.5 -22.35 66.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.27 0.471 . . . . 3.66 112.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.3 m -64.63 -29.36 70.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.645 0.378 . . . . 1.51 110.414 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -95.95 -32.67 12.5 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.286 0.634 . . . . 1.82 111.358 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -23.74 63.82 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.037 0.754 . . . . 0.91 113.037 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -66.95 -25.72 66.48 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.076 0.769 . . . . 2.05 113.076 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -48.71 -41.94 33.44 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.363 0.665 . . . . 1.91 112.436 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -91.22 177.28 6.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.721 0.408 . . . . 1.45 110.585 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.5 150.25 21.78 Favored Glycine 0 C--N 1.355 1.628 0 N-CA-C 114.488 0.555 . . . . 1.1 114.488 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 61.77 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.062 0.945 . . . . 3.19 112.217 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -80.16 -26.55 39.28 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.579 0.214 . . . . 1.24 111.579 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -96.94 41.37 1.11 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.535 0.334 . . . . 1.36 110.457 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -146.94 139.32 24.79 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.701 0.401 . . . . 1.36 111.356 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.39 131.08 44.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.812 -0.81 . . . . 0.9 108.812 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.9 152.95 34.95 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 112.444 0.535 . . . . 1.1 112.444 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.64 -22.6 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 N-CA-C 112.753 0.649 . . . . 0.81 112.753 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -98.39 -30.65 12.44 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.333 0.494 . . . . 0.95 112.333 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.26 -32.36 49.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.857 0.688 . . . . 1.61 112.857 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.44 -37.11 82.49 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.189 0.45 . . . . 0.78 111.548 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -66.54 -35.38 80.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.483 0.313 . . . . 0.9 111.185 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -72.26 -33.99 67.9 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.533 0.333 . . . . 0.69 111.054 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.47 -35.18 78.5 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.759 0.423 . . . . 0.88 110.676 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -74.76 -32.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 122.646 0.378 . . . . 0.62 111.625 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -95.46 33.59 1.58 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 122.443 0.297 . . . . 0.83 111.748 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -162.13 -53.85 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.23 0.456 . . . . 1.3 112.23 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -107.86 -17.92 13.94 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.591 0.96 . . . . 0.84 113.591 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -127.76 39.43 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 N-CA-C 112.58 0.585 . . . . 0.88 112.58 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.21 -34.06 0.92 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.187 1.925 . . . . 0.52 114.696 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.95 -34.82 66.76 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.853 0.297 . . . . 0.95 111.773 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.85 -50.8 39.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.451 0.3 . . . . 1.22 110.435 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -99.17 101.28 12.57 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.528 -0.916 . . . . 0.84 108.528 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -30.16 53.06 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 113.706 1.002 . . . . 1.78 113.706 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -100.78 91.04 4.44 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 120.525 0.203 . . . . 1.94 110.54 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.18 -38.2 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.377 -0.374 . . . . 0.7 110.426 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.59 -45.11 8.08 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 120.033 -0.315 . . . . 0.67 112.442 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.3 t -83.11 79.21 9.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.042 0.449 . . . . 1.26 110.436 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 13.15 13.56 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.628 -0.714 . . . . 1.59 110.927 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.37 -29.41 37.89 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.795 0.27 . . . . 0.73 111.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.15 -38.78 87.66 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.853 0.461 . . . . 1.1 111.028 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.69 -34.03 17.35 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 119.191 -0.433 . . . . 1.93 111.531 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 60.9 ttp -56.58 -42.17 78.21 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 112.105 0.409 . . . . 1.04 112.105 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.023 0.129 . . . . 3.0 110.75 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 48.7 m -71.08 -31.1 67.4 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.771 0.428 . . . . 1.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 45.2 mt -74.03 -57.15 4.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.75 0.42 . . . . 0.97 110.735 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.56 68.22 7.82 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.106 0.479 . . . . 1.32 110.436 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.33 -32.77 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.847 -0.615 . . . . 0.83 110.864 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -69.83 -36.1 75.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.824 0.449 . . . . 1.65 111.12 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 67.08 98.89 0.05 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.608 0.763 . . . . 2.44 111.394 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.93 -65.88 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.27 -0.423 . . . . 1.3 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -178.96 -55.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.579 0.752 . . . . 1.67 110.103 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -106.51 165.62 11.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.003 0.521 . . . . 2.4 110.119 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.09 100.71 11.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.676 0.39 . . . . 1.43 110.762 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -67.02 155.2 39.28 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.817 -0.438 . . . . 2.2 109.817 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.15 -29.31 67.33 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.246 0.461 . . . . 1.47 112.246 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.6 -23.01 63.46 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.552 0.341 . . . . 1.32 110.985 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -106.89 -8.44 16.68 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.727 0.811 . . . . 0.93 111.579 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -97.84 -12.07 22.56 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 112.725 0.639 . . . . 0.75 112.725 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -17.56 14.18 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.956 1.095 . . . . 1.87 113.956 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -67.74 -32.31 72.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.165 0.439 . . . . 2.72 111.513 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -84.98 -35.74 21.8 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.699 -0.482 . . . . 0.62 109.699 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.6 -35.68 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 109.502 -0.555 . . . . 1.18 109.502 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.57 -36.51 58.69 Favored Glycine 0 C--N 1.358 1.784 0 N-CA-C 111.461 -0.656 . . . . 0.44 111.461 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.43 -30.07 66.83 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.163 0.585 . . . . 0.91 110.917 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.1 -58.67 7.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.081 0.552 . . . . 0.89 110.786 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.35 -23.38 61.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.734 0.642 . . . . 1.12 112.734 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.79 -29.84 45.15 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.024 0.374 . . . . 1.54 110.884 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.91 29.71 2.03 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.132 0.419 . . . . 1.68 112.132 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.85 -37.87 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.264 -0.643 . . . . 0.92 109.264 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -38.73 6.02 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 122.758 0.423 . . . . 2.09 111.478 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.25 52.14 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.945 0.72 . . . . 1.96 112.945 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 122.028 -0.42 . . . . 2.66 111.081 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -145.58 63.59 1.26 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 108.866 -0.79 . . . . 1.65 108.866 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.63 88.23 0.35 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.832 -0.622 . . . . 1.72 112.672 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.3 tp -166.51 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.355 -0.839 . . . . 1.56 110.15 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -105.79 -34.09 7.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.04 0.536 . . . . 1.86 111.115 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.22 94.96 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.963 0.505 . . . . 1.25 110.488 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -110.35 16.12 21.84 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.909 0.707 . . . . 2.97 112.909 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -154.2 117.99 4.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.089 0.404 . . . . 2.3 111.811 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 tttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.217 -0.897 . . . . 2.1 110.421 179.045 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.43 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.447 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.501 2.105 0 N-CA-C 112.178 0.436 . . . . 3.15 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.06 158.84 15.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 122.939 0.495 . . . . 1.19 110.97 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.21 150.08 24.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 112.172 0.434 . . . . 1.01 112.172 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.37 145.25 28.41 Favored Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.963 0.505 . . . . 1.02 111.15 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.07 143.15 53.15 Favored 'Trans proline' 0 C--N 1.384 2.41 0 C-N-CA 122.792 2.328 . . . . 0.95 113.284 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.1 mt -142.17 -47.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.507 0.558 . . . . 1.29 112.507 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -142.93 168.46 19.65 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.881 0.473 . . . . 1.34 110.397 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -52.66 -47.02 67.42 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 112.75 0.648 . . . . 1.42 112.75 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.6 mt -77.53 -40.46 42.56 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 111.754 0.279 . . . . 0.77 111.754 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.58 -35.56 80.89 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.538 0.154 . . . . 1.03 111.067 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.6 -31.07 64.91 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.266 0.354 . . . . 0.81 111.317 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.9 m -60.31 -53.0 62.84 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.344 0.258 . . . . 1.04 111.593 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.24 -14.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 112.206 0.447 . . . . 1.07 112.206 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -34.25 20.39 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.611 0.764 . . . . 1.0 110.954 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -59.99 -32.38 70.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.606 0.362 . . . . 1.16 111.177 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.97 -27.09 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 110.189 -0.3 . . . . 0.64 110.189 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 t -81.72 -65.47 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.143 0.577 . . . . 0.95 110.556 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -56.99 -27.48 61.53 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.962 1.467 . . . . 0.93 114.962 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -77.77 -49.02 15.2 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.814 0.672 . . . . 0.76 112.814 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -97.67 -7.22 31.41 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.694 1.368 . . . . 1.1 114.694 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.16 -18.56 62.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.445 1.02 . . . . 3.79 112.426 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -63.13 -33.99 76.65 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 117.836 0.289 . . . . 1.74 110.678 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -91.62 -38.65 12.33 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.785 0.434 . . . . 1.82 110.815 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.12 -34.4 68.32 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 113.049 0.759 . . . . 1.0 113.049 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -71.71 -16.38 62.23 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.34 0.866 . . . . 1.8 113.34 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.61 -56.01 27.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.454 0.538 . . . . 2.01 112.454 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -128.59 141.49 51.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 111.723 0.268 . . . . 1.59 111.723 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.74 67.19 1.83 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-O 119.803 -0.443 . . . . 1.2 113.74 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 64.31 171.08 0.18 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.568 0.747 . . . . 3.16 111.755 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -85.26 -49.73 7.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.886 0.475 . . . . 1.46 111.226 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -76.69 -25.5 53.73 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.228 0.455 . . . . 1.43 112.228 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.2 145.44 25.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.656 0.613 . . . . 1.33 112.656 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.46 159.13 15.38 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.45 0.7 . . . . 0.88 109.744 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -86.28 157.72 19.86 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.701 -0.227 . . . . 0.99 110.745 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.09 -30.92 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 113.156 0.798 . . . . 0.73 113.156 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.39 -29.32 19.16 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 111.993 0.368 . . . . 0.92 111.993 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.94 -40.78 91.69 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.379 0.881 . . . . 1.54 113.379 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -67.31 -30.8 70.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.083 0.402 . . . . 0.79 111.37 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.78 -39.3 84.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 110.319 -0.252 . . . . 0.97 110.319 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.95 -29.6 66.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.628 0.371 . . . . 0.73 110.774 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.3 tp -66.15 -39.41 89.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.364 0.666 . . . . 0.84 111.522 179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.71 -28.79 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 119.399 -0.334 . . . . 0.61 111.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -101.13 35.8 2.14 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.085 0.402 . . . . 0.8 111.874 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -156.83 -58.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.125 -0.36 . . . . 1.41 111.69 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -110.28 -9.15 14.66 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.967 0.729 . . . . 0.97 112.967 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -130.69 34.88 0.28 Allowed Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 112.588 0.588 . . . . 0.85 112.588 179.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 94.7 Cg_endo -76.98 -36.32 1.49 Allowed 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 122.216 1.944 . . . . 0.52 114.662 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.05 -29.99 63.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 111.857 0.317 . . . . 0.98 111.857 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.48 -52.91 18.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.515 0.326 . . . . 1.12 111.058 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.78 107.25 18.77 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.273 0.358 . . . . 0.94 110.34 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -55.78 -33.72 64.63 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.06 0.544 . . . . 1.91 112.393 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.68 79.83 8.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 109.748 -0.464 . . . . 2.08 109.748 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.37 -40.88 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.328 -0.396 . . . . 0.75 111.424 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.66 -25.07 11.09 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-O 119.634 -0.537 . . . . 0.83 113.273 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 t -90.01 67.57 7.08 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 117.597 0.699 . . . . 1.26 111.053 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.03 -7.11 33.7 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.672 -0.695 . . . . 1.59 111.239 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.88 -30.66 70.29 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.994 0.739 . . . . 0.77 112.994 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.55 -40.84 89.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.377 0.271 . . . . 1.09 110.68 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.54 -27.71 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.268 0.627 . . . . 1.92 111.47 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.4 ttp -60.25 -41.28 92.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.118 0.567 . . . . 1.09 112.292 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.66 -33.99 77.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 117.813 0.279 . . . . 3.13 111.062 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -79.13 -32.64 44.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 1.0 110.563 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.89 -54.71 12.2 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.62 0.768 . . . . 0.96 111.151 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -91.8 57.14 3.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 122.912 0.485 . . . . 1.39 110.505 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.77 -27.02 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 116.04 -0.527 . . . . 0.82 110.956 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.57 -32.17 71.89 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.913 0.485 . . . . 1.74 110.13 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 65.37 59.71 0.79 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 124.308 1.043 . . . . 2.45 112.163 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.37 -0.07 5.67 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.611 -0.722 . . . . 1.41 111.802 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t 80.03 -31.1 0.13 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.28 1.032 . . . . 1.61 112.843 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.31 111.46 23.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 122.739 0.415 . . . . 2.42 110.215 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.49 93.82 5.48 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.565 0.222 . . . . 1.23 111.02 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -70.93 167.54 18.86 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.645 -0.502 . . . . 2.35 109.645 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -30.06 70.52 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.649 0.658 . . . . 1.43 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -68.59 -36.41 78.68 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 122.738 0.415 . . . . 1.24 110.108 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -87.92 -24.91 23.47 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.823 0.449 . . . . 1.03 111.034 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -83.74 -12.05 56.31 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.906 0.882 . . . . 0.79 110.77 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -27.25 64.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.12 0.968 . . . . 1.98 112.16 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -62.86 -30.88 71.85 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.152 0.181 . . . . 2.48 111.255 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.0 tp -84.66 -35.26 22.74 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 119.358 -0.353 . . . . 0.59 110.762 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.96 -40.19 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 122.474 0.31 . . . . 0.91 110.394 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.41 -38.34 86.83 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.581 -0.607 . . . . 0.49 111.581 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.16 -27.44 65.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 122.753 0.421 . . . . 0.86 111.51 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.79 -59.23 5.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.819 0.448 . . . . 0.95 110.803 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.83 -28.61 63.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.627 0.371 . . . . 1.12 111.483 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.53 -26.45 64.52 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.21 0.204 . . . . 1.46 110.75 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.5 34.9 3.4 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 122.75 0.42 . . . . 1.65 111.847 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.51 -41.47 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.815 -0.439 . . . . 0.93 109.815 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -35.05 5.29 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.91 0.484 . . . . 2.16 111.985 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -118.25 39.49 3.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 111.914 0.339 . . . . 1.87 111.914 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -61.1 -41.11 96.07 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 120.493 0.187 . . . . 2.47 110.926 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -136.28 57.37 1.78 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.933 -0.765 . . . . 1.83 108.933 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -70.75 78.9 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 121.492 0.663 . . . . 1.81 111.899 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -169.95 -49.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.243 -0.89 . . . . 1.45 109.801 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -91.77 -43.03 9.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.071 0.548 . . . . 2.03 110.266 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 pt -134.91 134.63 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.231 0.612 . . . . 1.24 110.3 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -150.04 44.34 0.9 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.365 0.506 . . . . 2.8 112.365 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -162.02 107.45 1.26 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.402 -0.363 . . . . 2.08 110.636 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.241 0.543 . . . . 1.94 110.499 179.727 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.552 1.053 0 N-CA-C 112.127 0.417 . . . . 2.04 112.127 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.01 130.83 50.77 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.995 0.518 . . . . 0.9 110.672 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.95 115.29 25.31 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.054 0.221 . . . . 1.0 111.414 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.62 144.28 27.85 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 122.899 0.48 . . . . 1.1 111.003 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.25 138.29 60.43 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.514 2.143 . . . . 1.08 113.514 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.8 mt -134.16 -136.58 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.223 0.609 . . . . 1.32 109.967 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -66.77 169.69 7.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 119.141 0.882 . . . . 1.51 111.079 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -51.47 -49.74 61.2 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.3 0.852 . . . . 1.51 113.3 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 79.1 mt -74.84 -34.54 62.32 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.936 0.347 . . . . 0.84 111.936 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -71.08 -35.53 71.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.425 0.29 . . . . 0.95 110.639 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.7 -24.7 53.14 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.371 0.668 . . . . 0.85 111.895 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -60.15 -54.47 45.49 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.845 0.293 . . . . 1.04 111.359 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.39 -27.82 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.324 0.249 . . . . 1.1 111.415 178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -68.17 -38.03 81.63 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 122.911 0.484 . . . . 1.0 111.029 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 36.6 m -59.49 -31.98 69.85 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.731 0.413 . . . . 1.34 111.54 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.98 -36.56 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.72 -0.474 . . . . 0.78 109.72 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.84 -39.83 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.739 0.416 . . . . 0.97 111.086 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -71.66 -35.09 70.22 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.062 0.764 . . . . 0.88 113.062 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -76.14 -42.65 46.12 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.498 -0.287 . . . . 0.75 111.346 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.86 60.91 0.79 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 121.048 0.452 . . . . 1.21 110.919 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -119.81 -40.96 2.7 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.942 -0.572 . . . . 3.66 109.914 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -64.32 -33.3 75.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 1.51 111.605 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.67 -35.38 20.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.914 0.486 . . . . 1.82 110.912 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.15 67.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.431 0.9 . . . . 0.91 113.431 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -75.56 -17.04 60.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.363 0.875 . . . . 2.05 113.363 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.614 0.598 . . . . 1.91 112.614 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -100.62 -176.37 3.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.376 . . . . 1.45 110.68 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.92 136.2 10.24 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.171 0.428 . . . . 1.1 114.171 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 65.24 128.58 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.164 0.986 . . . . 3.19 112.017 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -63.3 -49.4 74.14 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.843 0.457 . . . . 1.24 112.214 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.63 56.1 2.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.523 0.329 . . . . 1.36 111.019 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -152.69 135.94 15.78 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.008 0.373 . . . . 1.36 112.008 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.68 146.49 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.716 -0.674 . . . . 0.9 110.301 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -89.72 161.47 16.05 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.453 0.168 . . . . 1.1 111.055 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.43 -30.82 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 112.593 0.59 . . . . 0.81 112.593 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -95.3 -34.11 12.3 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.666 0.386 . . . . 0.95 111.968 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.52 -34.68 72.58 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.851 0.686 . . . . 1.61 112.851 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -37.26 68.36 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 117.694 0.225 . . . . 0.78 111.213 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.4 -34.56 78.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.495 0.318 . . . . 0.9 111.637 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.586 0.354 . . . . 0.69 111.369 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 tp -68.47 -35.9 78.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.763 0.425 . . . . 0.88 110.76 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.06 -30.8 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.212 0.605 . . . . 0.62 111.722 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.19 20.65 13.13 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.535 0.569 . . . . 0.83 112.535 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -146.48 -64.03 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.343 0.497 . . . . 1.3 112.343 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -99.31 -12.52 20.26 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.417 0.895 . . . . 0.84 113.417 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -132.53 48.21 3.35 Favored Pre-proline 0 CA--C 1.564 1.518 0 CA-C-N 118.231 0.469 . . . . 0.88 111.922 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -83.26 -34.89 0.29 Allowed 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.479 2.12 . . . . 0.52 114.713 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -83.56 -8.07 59.4 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.005 0.743 . . . . 0.95 113.005 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.79 -54.99 4.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.257 0.48 . . . . 1.22 110.106 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.2 mt -94.44 108.71 20.63 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.283 -1.006 . . . . 0.84 108.283 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.64 -30.65 61.33 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.835 1.05 . . . . 1.78 113.835 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -104.75 83.01 1.96 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.098 -0.334 . . . . 1.94 110.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.65 -25.41 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 112.413 0.523 . . . . 0.7 112.413 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.27 -60.48 2.52 Favored Glycine 0 C--N 1.351 1.381 0 C-N-CA 121.454 -0.403 . . . . 0.67 112.656 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -82.81 80.68 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.89 0.376 . . . . 1.26 111.245 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -3.58 51.86 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.345 -0.389 . . . . 1.59 111.696 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.16 -34.45 66.19 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.566 0.58 . . . . 0.73 112.566 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.19 -36.33 82.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.057 0.143 . . . . 1.1 111.04 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -107.74 40.75 1.65 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.64 0.376 . . . . 1.93 110.293 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -131.12 -46.81 1.01 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.238 0.615 . . . . 1.04 110.531 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -67.84 -38.21 82.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.511 0.324 . . . . 3.0 110.78 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.9 m -67.44 -28.6 68.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.517 0.327 . . . . 1.0 111.875 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.39 -56.88 4.47 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.846 -0.427 . . . . 0.97 109.846 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.56 74.42 6.77 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.519 -0.549 . . . . 1.32 109.519 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 p -83.81 -18.75 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 CA-C-N 116.016 -0.538 . . . . 0.83 111.83 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -77.96 -22.26 49.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.18 0.437 . . . . 1.65 112.18 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 61.47 63.65 1.16 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.696 0.799 . . . . 2.44 111.598 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -131.6 5.74 4.35 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.311 -0.859 . . . . 1.3 111.462 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t 64.75 29.47 12.74 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 123.535 0.734 . . . . 1.67 112.287 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.27 130.65 25.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.672 0.389 . . . . 2.4 110.047 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.42 79.72 1.26 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.97 0.414 . . . . 1.43 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -70.25 174.39 5.63 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.61 -0.885 . . . . 2.2 108.61 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.4 -22.99 65.49 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.418 1.008 . . . . 1.47 111.475 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -74.12 -37.02 64.22 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.027 0.531 . . . . 1.32 110.141 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.33 -48.57 11.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.239 0.616 . . . . 0.93 109.878 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.18 -19.71 55.25 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.082 0.953 . . . . 0.75 111.229 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -36.37 -48.96 0.68 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.013 1.725 . . . . 1.87 114.309 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -62.11 -33.23 74.05 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.738 0.644 . . . . 2.72 112.738 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -73.99 -35.33 64.44 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.101 0.41 . . . . 0.62 110.397 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.38 -40.69 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.074 0.55 . . . . 1.18 110.576 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.33 -36.24 92.47 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 121.305 -0.474 . . . . 0.44 112.028 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -76.28 -24.22 54.42 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 119.243 -0.408 . . . . 0.91 111.939 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.25 -47.96 80.22 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.957 0.344 . . . . 0.89 110.537 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.57 -15.29 52.81 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.556 0.576 . . . . 1.12 112.556 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -83.8 -43.31 15.54 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.684 0.394 . . . . 1.54 111.717 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.69 -23.23 49.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.03 0.752 . . . . 1.68 113.03 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -36.46 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 118.271 0.487 . . . . 0.92 111.542 179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -93.08 -40.2 10.65 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.356 0.502 . . . . 2.09 112.356 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.69 71.57 1.45 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 112.872 0.693 . . . . 1.96 112.872 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -73.5 -42.07 62.3 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.469 -0.332 . . . . 2.66 110.816 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -135.04 73.96 1.5 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.002 -0.74 . . . . 1.65 109.002 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.92 -31.2 70.73 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.735 0.643 . . . . 1.72 112.735 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 mp -74.99 -41.67 59.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.438 0.295 . . . . 1.56 111.678 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -81.94 -64.16 1.24 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.941 0.348 . . . . 1.86 111.941 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 pt -109.86 149.1 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 111.933 0.346 . . . . 1.25 111.933 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -135.93 12.56 3.37 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 113.046 0.758 . . . . 2.97 113.046 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -153.46 102.5 2.58 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.418 0.553 . . . . 2.3 111.445 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.262 -0.875 . . . . 2.1 110.252 179.459 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.413 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.455 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptm . . . . . 0 N--CA 1.499 2.025 0 N-CA-C 113.194 0.813 . . . . 3.15 113.194 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 143.24 47.33 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.101 0.41 . . . . 1.19 111.463 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.98 128.9 39.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.198 -0.455 . . . . 1.01 111.37 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -123.44 135.92 26.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 123.026 0.531 . . . . 1.02 111.194 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.06 136.42 76.52 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.623 2.215 . . . . 0.95 113.342 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -138.53 -155.39 0.59 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 123.244 0.618 . . . . 1.29 109.653 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -59.61 176.22 0.29 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 118.757 0.708 . . . . 1.34 111.957 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -57.02 -44.6 83.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.325 0.861 . . . . 1.42 113.325 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.75 -37.87 55.18 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.185 0.448 . . . . 0.77 111.035 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.43 -20.36 61.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.399 0.28 . . . . 1.03 111.622 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -87.73 -25.72 23.3 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.034 0.533 . . . . 0.81 110.716 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -58.5 -56.47 21.77 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.451 0.301 . . . . 1.04 110.97 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -70.29 -25.49 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 O-C-N 122.915 0.134 . . . . 1.07 111.1 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -70.94 -36.78 72.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 1.0 111.056 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.29 -29.52 70.83 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.436 0.294 . . . . 1.16 110.771 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.0 t -72.6 -30.26 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.03 0.532 . . . . 0.64 110.693 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 t -101.38 38.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 122.931 0.492 . . . . 0.95 110.614 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -143.23 -52.11 0.36 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.874 0.47 . . . . 0.93 111.087 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -67.06 -41.51 86.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.435 0.294 . . . . 0.76 111.301 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -109.13 37.68 2.5 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 122.43 0.292 . . . . 1.1 111.306 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -95.13 -35.03 12.05 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.038 -0.356 . . . . 3.79 110.038 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 m -71.63 -30.17 65.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.06 0.544 . . . . 1.74 111.251 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.11 -30.79 22.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.837 0.455 . . . . 1.82 111.993 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.89 -14.98 61.6 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.261 0.837 . . . . 1.0 113.261 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -93.49 11.53 28.22 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.76 1.022 . . . . 1.8 113.76 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -73.55 -40.86 63.64 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.045 0.384 . . . . 2.01 111.084 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -97.28 -171.64 2.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.988 0.515 . . . . 1.59 110.258 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.0 148.51 13.03 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 114.04 0.376 . . . . 1.2 114.04 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 66.76 137.18 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.159 0.984 . . . . 3.16 112.159 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -77.38 -35.92 54.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.103 0.561 . . . . 1.46 111.765 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -107.58 55.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.002 0.43 . . . . 1.43 110.204 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -147.95 139.96 24.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.992 -0.549 . . . . 1.33 111.059 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mp -98.68 140.6 32.66 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.81 -0.441 . . . . 0.88 109.81 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -80.22 152.45 29.11 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.164 0.186 . . . . 0.99 111.34 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.86 -32.37 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 112.327 0.491 . . . . 0.73 112.327 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -90.06 -35.11 15.66 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.556 0.342 . . . . 0.92 111.802 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.58 -40.91 73.01 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.117 0.414 . . . . 1.54 112.117 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -32.24 69.34 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.821 0.282 . . . . 0.79 110.567 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -60.31 -34.24 73.52 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.996 0.518 . . . . 0.97 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.53 -29.04 37.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.88 0.472 . . . . 0.73 111.526 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.75 -33.77 74.47 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.533 0.333 . . . . 0.84 111.746 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.9 -20.32 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 122.608 0.363 . . . . 0.61 111.085 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -91.52 -28.76 17.38 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 112.625 0.602 . . . . 0.8 112.625 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -105.15 -53.76 2.6 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.487 0.921 . . . . 1.41 113.487 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -94.68 -12.45 27.28 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.664 0.987 . . . . 0.97 113.664 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.57 42.62 0.92 Allowed Pre-proline 0 CA--C 1.566 1.574 0 CA-C-N 118.443 0.565 . . . . 0.85 112.239 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.74 -38.65 0.46 Allowed 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 122.066 1.844 . . . . 0.52 114.313 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -80.85 -16.2 54.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.627 0.603 . . . . 0.98 112.627 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.81 -67.21 0.77 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.961 -0.385 . . . . 1.12 109.961 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.77 106.33 18.44 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.212 -1.033 . . . . 0.94 108.212 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -22.75 61.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.125 0.787 . . . . 1.91 113.125 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -82.53 70.61 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.964 0.411 . . . . 2.08 110.267 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.9 -36.41 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 CA-C-N 116.168 -0.469 . . . . 0.75 112.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.23 -54.7 3.09 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.945 -0.364 . . . . 0.83 112.766 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -81.48 80.06 7.95 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.74 -0.467 . . . . 1.26 109.74 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.15 67.46 0.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.721 -0.672 . . . . 1.59 109.383 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 -42.28 1.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.305 -0.861 . . . . 0.77 111.428 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.39 -36.31 83.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.727 0.24 . . . . 1.09 110.959 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -101.5 30.42 4.28 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.502 0.321 . . . . 1.92 111.091 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.6 ttp -120.8 -48.04 2.28 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.459 -0.571 . . . . 1.09 109.459 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.81 -33.0 58.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.845 0.458 . . . . 3.13 110.792 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.9 m -63.11 -28.99 70.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.524 0.33 . . . . 1.0 111.071 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.37 -57.62 3.68 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 109.475 -0.565 . . . . 0.96 109.475 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -88.58 76.76 8.1 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.208 0.528 . . . . 1.39 110.547 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.12 -10.12 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.53 -0.759 . . . . 0.82 112.056 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.2 -19.13 27.3 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.373 0.669 . . . . 1.74 111.832 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 63.58 76.08 0.37 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 123.818 0.847 . . . . 2.45 111.771 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 22.63 1.99 Allowed 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.822 -0.626 . . . . 1.41 111.84 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 t 66.62 -61.14 0.32 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.52 1.128 . . . . 1.61 113.185 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.83 144.82 36.72 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.112 0.415 . . . . 2.42 111.076 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.25 92.24 4.64 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 123.322 0.389 . . . . 1.23 110.151 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -62.77 162.18 11.32 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.281 -0.637 . . . . 2.35 109.281 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -24.06 48.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.127 0.876 . . . . 1.43 111.887 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.06 -31.46 67.89 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 109.939 -0.393 . . . . 1.24 109.939 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.55 -45.81 12.21 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 108.948 -0.76 . . . . 1.03 108.948 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.73 -20.63 63.72 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.678 0.791 . . . . 0.79 111.143 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -43.66 -44.63 6.51 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.775 1.63 . . . . 1.98 112.68 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -62.81 -31.15 72.07 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.003 0.742 . . . . 2.48 113.003 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.7 -33.12 41.26 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 119.489 -0.291 . . . . 0.59 111.336 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.87 -33.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 110.2 -0.296 . . . . 0.91 110.2 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.5 95.33 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.952 -0.459 . . . . 0.49 111.952 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.16 -26.77 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.873 0.469 . . . . 0.86 111.409 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.5 -54.27 48.55 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.602 0.361 . . . . 0.95 111.056 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.64 -21.69 41.21 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.214 0.82 . . . . 1.12 113.214 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -80.54 -36.6 32.85 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.047 0.385 . . . . 1.46 111.012 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -95.55 33.45 1.62 Allowed 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 112.049 0.388 . . . . 1.65 112.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.66 -43.33 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.531 0.333 . . . . 0.93 110.238 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -37.68 7.69 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 112.225 0.454 . . . . 2.16 112.225 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -124.56 58.0 1.23 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 111.958 0.355 . . . . 1.87 111.958 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -33.69 76.5 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 110.224 -0.287 . . . . 2.47 110.224 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -142.53 77.32 1.57 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.043 -1.095 . . . . 1.83 108.043 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.5 -33.73 70.14 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.224 0.824 . . . . 1.81 113.224 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -73.24 -26.95 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.665 0.616 . . . . 1.45 112.665 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -102.7 -57.62 2.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.412 0.285 . . . . 2.03 111.426 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.3 pt -113.71 124.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.0 0.52 . . . . 1.24 111.605 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -143.08 42.41 1.54 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.297 -0.41 . . . . 2.8 111.334 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -158.16 89.0 0.97 Allowed 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.813 0.339 . . . . 2.08 111.537 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.4 mttp . . . . . 0 N--CA 1.475 0.803 0 CA-C-N 116.182 -0.463 . . . . 1.94 110.657 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptt? . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 112.157 0.429 . . . . 2.04 112.157 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.31 141.83 35.24 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 122.69 0.396 . . . . 0.9 111.487 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.39 121.61 28.35 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.763 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -124.85 143.71 44.61 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.824 0.45 . . . . 1.1 111.265 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.88 147.92 49.11 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.459 2.772 . . . . 1.08 114.385 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 mt -141.79 -60.46 0.47 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.564 0.346 . . . . 1.32 111.931 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -142.69 173.43 11.54 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.137 0.575 . . . . 1.51 110.437 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -49.03 -53.97 17.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.83 1.048 . . . . 1.51 113.83 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.67 -33.74 35.29 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.35 0.5 . . . . 0.84 112.35 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.98 -26.62 64.17 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.833 0.288 . . . . 0.95 111.322 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.2 -32.02 30.06 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.186 0.594 . . . . 0.85 111.216 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -55.66 -60.44 3.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.61 0.364 . . . . 1.04 111.209 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.74 -26.85 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 111.939 0.348 . . . . 1.1 111.939 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -73.31 -36.18 66.2 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.098 0.559 . . . . 1.0 111.634 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 84.8 m -57.55 -31.64 66.3 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.724 0.41 . . . . 1.34 112.085 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.66 -28.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.216 0.206 . . . . 0.78 110.702 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -94.02 33.01 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.526 0 C-N-CA 122.744 0.417 . . . . 0.97 110.893 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -148.45 -45.28 0.15 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.005 0.522 . . . . 0.88 112.164 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -64.11 -66.26 0.57 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.254 0.464 . . . . 0.75 112.254 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.49 -8.72 49.67 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.486 0.55 . . . . 1.21 112.486 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -75.94 -8.9 58.02 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.521 0.601 . . . . 3.66 112.513 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 m -70.73 -34.57 72.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.3 -0.63 . . . . 1.51 109.3 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -89.61 -30.92 17.82 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.514 0.726 . . . . 1.82 110.902 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.42 69.18 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.14 0.793 . . . . 0.91 113.14 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -83.7 8.14 15.44 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.651 0.611 . . . . 2.05 112.651 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -78.8 -35.2 44.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.705 0.402 . . . . 1.91 110.782 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.9 -168.81 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.965 0.506 . . . . 1.45 110.254 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.75 135.45 25.04 Favored Glycine 0 C--N 1.36 1.878 0 N-CA-C 114.335 0.494 . . . . 1.1 114.335 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? 63.12 131.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.125 0.97 . . . . 3.19 112.173 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -71.48 -38.29 71.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.966 -0.561 . . . . 1.24 111.631 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -98.7 53.98 1.02 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.013 0.525 . . . . 1.36 109.908 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.5 t -159.54 142.04 13.74 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.235 -0.439 . . . . 1.36 112.129 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.32 153.34 18.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.892 0.477 . . . . 0.9 109.934 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -86.18 159.46 19.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.338 0.255 . . . . 1.1 110.605 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.77 -26.01 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 112.786 0.661 . . . . 0.81 112.786 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -95.13 -32.24 13.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.651 0.38 . . . . 0.95 111.49 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.06 -43.9 77.55 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.761 0.652 . . . . 1.61 112.761 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.28 -34.97 78.83 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 111.919 0.34 . . . . 0.78 111.919 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.74 -36.17 73.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 119.708 -0.187 . . . . 0.9 111.049 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.27 -34.74 75.22 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.393 0.277 . . . . 0.69 110.563 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.8 -37.02 85.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.679 0.392 . . . . 0.88 110.85 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -77.11 -28.27 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 123.221 0.326 . . . . 0.62 111.767 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -102.99 23.52 12.15 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.643 0.609 . . . . 0.83 112.643 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -146.18 -56.35 0.28 Allowed 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.982 -0.449 . . . . 1.3 112.087 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -107.34 -8.58 16.29 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.177 0.806 . . . . 0.84 113.177 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 47.04 1.55 Allowed Pre-proline 0 CA--C 1.562 1.414 0 CA-C-N 118.409 0.55 . . . . 0.88 111.681 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.34 -36.25 0.7 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.665 2.243 . . . . 0.52 114.475 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -66.66 -40.22 88.53 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.244 0.461 . . . . 0.95 112.244 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -63.11 1.36 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.261 0.351 . . . . 1.22 111.074 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.4 86.4 5.66 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.298 -0.631 . . . . 0.84 109.298 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -49.85 -38.55 35.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.978 0.733 . . . . 1.78 112.978 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.31 72.43 10.71 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.931 0.396 . . . . 1.94 110.74 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -69.05 -33.43 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 116.421 -0.354 . . . . 0.7 111.745 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.79 -44.52 19.7 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.999 -0.44 . . . . 0.67 111.999 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -86.22 82.23 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.24 -0.652 . . . . 1.26 109.24 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.59 4.74 13.21 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.454 -0.793 . . . . 1.59 111.957 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.15 -31.17 64.09 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.373 0.508 . . . . 0.73 112.373 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.3 -41.51 93.59 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.235 0.214 . . . . 1.1 110.812 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.68 -38.38 25.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 119.469 -0.301 . . . . 1.93 110.459 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 57.6 ttp -52.88 -40.99 63.92 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.728 0.411 . . . . 1.04 111.631 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -71.23 -39.59 71.6 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.373 0.269 . . . . 3.0 111.124 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -66.91 -35.84 80.91 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.51 0.324 . . . . 1.0 111.156 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.61 -57.03 5.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.769 0.428 . . . . 0.97 110.295 178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -85.97 76.15 9.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.123 0.487 . . . . 1.32 109.967 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 p -94.92 -29.09 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 115.566 -0.743 . . . . 0.83 111.831 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.47 -18.48 41.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.526 0.331 . . . . 1.65 111.843 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.57 70.95 0.54 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 123.905 0.882 . . . . 2.44 111.92 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -134.87 7.99 3.5 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 115.798 -0.637 . . . . 1.3 112.061 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 59.4 28.17 17.47 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 123.635 0.774 . . . . 1.67 112.153 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -143.73 134.5 25.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 122.88 0.472 . . . . 2.4 110.405 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.28 81.67 1.48 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.651 0.263 . . . . 1.43 111.628 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -70.31 161.23 30.78 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.214 -1.032 . . . . 2.2 108.214 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -28.09 55.06 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.192 0.906 . . . . 1.47 112.503 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.2 -34.41 78.3 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.119 0.418 . . . . 1.32 110.109 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.39 -34.95 14.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.424 0.69 . . . . 0.93 110.723 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -72.84 -16.21 61.6 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.721 0.809 . . . . 0.75 112.328 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -26.64 56.48 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.207 0.603 . . . . 1.87 111.688 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 1.2 mmt-85 -61.29 -35.53 77.58 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 117.733 0.242 . . . . 2.72 111.208 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -79.33 -31.77 43.17 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.663 0.385 . . . . 0.62 111.048 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.25 -38.77 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 122.644 0.377 . . . . 1.18 110.711 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.77 -44.51 92.1 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 112.135 -0.386 . . . . 0.44 112.135 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.36 -26.19 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.249 0.219 . . . . 0.91 110.796 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.08 -50.29 62.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.15 0.58 . . . . 0.89 110.263 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -6.66 58.35 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.464 0.913 . . . . 1.12 113.464 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -98.47 -42.47 7.3 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.227 0.467 . . . . 1.54 110.905 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.12 -12.28 59.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.828 0.677 . . . . 1.68 112.828 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.94 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 118.309 0.504 . . . . 0.92 111.169 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -86.74 -41.95 13.73 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.898 0.479 . . . . 2.09 111.826 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -138.11 85.2 2.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 121.304 0.573 . . . . 1.96 112.302 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -36.72 37.94 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.147 -0.479 . . . . 2.66 109.759 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -116.21 73.01 0.83 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.433 -0.951 . . . . 1.65 108.433 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.19 65.48 1.17 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.013 0.435 . . . . 1.72 112.058 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -176.54 -43.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.433 0.693 . . . . 1.56 110.985 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -93.24 -50.86 5.28 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 122.948 0.499 . . . . 1.86 111.13 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.05 131.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 122.683 0.393 . . . . 1.25 111.454 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -145.03 25.09 1.43 Allowed 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.13 0.789 . . . . 2.97 113.13 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -135.87 65.26 1.54 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.488 0.661 . . . . 2.3 111.153 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.323 -0.846 . . . . 2.1 110.495 179.572 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.435 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.465 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 121.025 0.441 . . . . 3.15 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 136.52 11.78 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.899 -0.591 . . . . 1.19 110.748 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.6 124.0 40.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.721 0.267 . . . . 1.01 111.721 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -134.68 134.53 22.25 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.56 0.744 . . . . 1.02 109.987 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.74 147.86 25.07 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.381 2.054 . . . . 0.95 113.226 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.62 -75.01 0.36 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.758 0.423 . . . . 1.29 110.794 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -104.1 165.96 10.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.285 0.634 . . . . 1.34 109.795 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -55.62 -50.2 70.81 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.236 0.458 . . . . 1.42 112.236 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.8 -35.23 79.6 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 119.705 -0.188 . . . . 0.77 111.494 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.42 -38.61 74.62 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 110.09 -0.337 . . . . 1.03 110.09 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.98 -30.43 70.55 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.891 0.476 . . . . 0.81 111.065 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -64.41 -43.97 92.73 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.386 0.274 . . . . 1.04 110.606 178.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -85.49 -12.33 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 112.22 0.452 . . . . 1.07 112.22 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -88.47 -41.47 12.74 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.185 0.594 . . . . 1.0 110.749 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -62.93 -29.17 70.58 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.953 0.353 . . . . 1.16 111.953 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -65.51 -28.58 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 109.913 -0.403 . . . . 0.64 109.913 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.43 -64.46 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 122.826 0.45 . . . . 0.95 110.713 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.5 p -52.41 -39.32 60.78 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.985 1.476 . . . . 0.93 114.985 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -66.53 -34.32 77.66 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.752 1.019 . . . . 0.76 113.752 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.76 -19.39 12.46 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.118 1.155 . . . . 1.1 114.118 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.84 -13.31 60.55 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.321 0.964 . . . . 3.79 113.444 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -70.87 -29.93 66.17 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.324 0.511 . . . . 1.74 109.641 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -98.12 -29.5 13.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.467 0.707 . . . . 1.82 111.472 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.29 62.68 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 112.937 0.718 . . . . 1.0 112.937 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.33 -20.89 63.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.986 0.736 . . . . 1.8 112.986 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -52.72 -43.43 65.67 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.818 0.847 . . . . 2.01 112.495 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.09 -179.49 7.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.482 0.313 . . . . 1.59 111.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.39 142.05 5.4 Favored Glycine 0 C--N 1.361 1.961 0 N-CA-C 115.017 0.767 . . . . 1.2 115.017 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 67.02 145.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.598 1.159 . . . . 3.16 111.981 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -87.82 -14.09 40.46 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 112.687 0.625 . . . . 1.46 112.687 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.22 59.09 1.09 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.692 0.397 . . . . 1.43 110.626 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -156.88 149.14 23.1 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.534 0.568 . . . . 1.33 112.534 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.63 149.09 23.71 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.717 -0.674 . . . . 0.88 109.32 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -84.26 154.19 23.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.317 0.247 . . . . 0.99 111.499 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -75.14 -32.95 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 112.41 0.522 . . . . 0.73 112.41 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -83.33 -43.71 15.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.433 0.293 . . . . 0.92 111.313 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.42 -26.98 66.69 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 111.965 0.357 . . . . 1.54 111.965 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.04 -42.0 81.24 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.744 0.418 . . . . 0.79 110.643 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.91 -31.39 72.6 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.663 0.385 . . . . 0.97 111.65 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -84.56 -33.67 23.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.798 0.439 . . . . 0.73 111.59 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.47 -38.64 91.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.67 0.213 . . . . 0.84 111.351 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.94 -29.59 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 122.584 0.354 . . . . 0.61 111.61 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -110.8 48.2 0.93 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 121.03 0.443 . . . . 0.8 111.793 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -166.28 -52.38 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.87 0.468 . . . . 1.41 110.792 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -113.02 -3.23 14.05 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 112.711 0.634 . . . . 0.97 112.711 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.55 40.32 0.38 Allowed Pre-proline 0 CA--C 1.566 1.578 0 N-CA-C 112.095 0.406 . . . . 0.85 112.095 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.4 -40.34 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 121.906 1.738 . . . . 0.52 114.505 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.19 -38.05 69.16 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.912 0.338 . . . . 0.98 111.912 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.74 -59.45 5.15 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.829 0.451 . . . . 1.12 110.57 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.25 99.18 10.11 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.512 -0.922 . . . . 0.94 108.512 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -57.6 -28.59 63.78 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 111.915 0.339 . . . . 1.91 111.915 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -78.01 80.29 4.45 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 122.85 0.46 . . . . 2.08 110.5 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -96.16 -35.76 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 116.066 -0.515 . . . . 0.75 112.298 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -50.59 7.16 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 119.755 -0.469 . . . . 0.83 113.283 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -84.66 88.47 7.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.213 0.506 . . . . 1.26 110.617 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.94 45.01 0.98 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.286 -0.416 . . . . 1.59 110.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -114.97 -43.26 3.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.852 0.461 . . . . 0.77 111.661 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.89 -37.08 86.45 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 117.832 0.287 . . . . 1.09 110.558 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -47.31 37.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 110.09 -0.337 . . . . 1.92 110.09 177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttt -59.52 -39.04 82.58 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.074 0.768 . . . . 1.09 113.074 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -67.55 -43.73 79.96 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 111.965 0.357 . . . . 3.13 111.965 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.044 0.387 . . . . 1.0 112.044 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.7 mt -74.37 -58.42 3.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.405 0.282 . . . . 0.96 110.987 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.43 83.19 7.97 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.914 0.388 . . . . 1.39 110.633 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 p -90.51 -40.08 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 115.815 -0.63 . . . . 0.82 110.419 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -75.62 -25.83 57.27 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 122.62 0.368 . . . . 1.74 111.007 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 63.2 79.67 0.25 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 123.9 0.88 . . . . 2.45 111.691 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -131.53 25.46 4.77 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.642 -0.708 . . . . 1.41 111.074 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 t 70.78 -68.45 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.077 0.951 . . . . 1.61 112.007 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 150.78 45.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.405 0.282 . . . . 2.42 111.164 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.22 92.75 4.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.734 0.413 . . . . 1.23 111.554 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.87 161.11 29.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.412 -0.588 . . . . 2.35 109.412 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.52 -26.96 67.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.617 0.599 . . . . 1.43 112.617 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.12 -31.81 69.53 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.832 -0.433 . . . . 1.24 109.832 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -84.77 -40.89 16.71 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.731 0.412 . . . . 1.03 110.188 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -68.54 -16.6 63.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.179 0.592 . . . . 0.79 111.085 177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -40.16 -40.88 1.18 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.874 1.67 . . . . 1.98 113.649 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 -62.8 -33.56 75.46 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.219 0.822 . . . . 2.48 113.219 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.1 tp -79.19 -28.1 42.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 117.955 0.343 . . . . 0.59 111.699 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -55.29 -40.55 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 122.317 0.247 . . . . 0.91 110.381 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.37 -33.95 46.96 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 120.029 -0.317 . . . . 0.49 112.354 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.67 -26.94 63.67 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.157 0.583 . . . . 0.86 111.833 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.12 -48.35 65.65 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.698 0.399 . . . . 0.95 110.962 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.23 -11.73 60.13 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 111.941 0.349 . . . . 1.12 111.941 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -84.56 -41.51 16.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.328 0.651 . . . . 1.46 110.712 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.58 -20.06 47.86 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.63 0.604 . . . . 1.65 112.63 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -39.46 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 112.563 0.579 . . . . 0.93 112.563 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.38 -42.28 6.05 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.374 0.509 . . . . 2.16 112.374 -178.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -138.33 78.83 1.7 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.502 0.556 . . . . 1.87 112.502 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.66 -33.1 35.86 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.721 -0.474 . . . . 2.47 109.721 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -116.39 68.46 0.73 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.549 -0.908 . . . . 1.83 108.549 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.86 66.98 2.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.483 0.658 . . . . 1.81 111.373 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tp -175.07 -45.2 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.322 -0.854 . . . . 1.45 110.897 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -91.99 -55.94 3.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.369 0.668 . . . . 2.03 111.354 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.23 128.35 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.732 0.413 . . . . 1.24 110.926 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -135.44 49.46 2.17 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.908 0.385 . . . . 2.8 111.728 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.51 83.51 0.47 Allowed 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.215 0.531 . . . . 2.08 110.724 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.3 tttp . . . . . 0 N--CA 1.474 0.734 0 CA-C-N 115.697 -0.683 . . . . 1.94 110.251 -179.369 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 113.11 0.781 . . . . 2.04 113.11 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.67 138.88 49.58 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.113 0.415 . . . . 0.9 111.149 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 100.92 8.87 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.6 0.238 . . . . 1.0 110.677 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -92.66 145.12 29.78 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.67 0.788 . . . . 1.1 111.501 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.44 126.53 15.72 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.426 2.084 . . . . 1.08 113.044 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.3 mt -122.15 -137.05 0.31 Allowed 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 118.797 -0.62 . . . . 1.32 110.495 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -78.89 162.82 25.77 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.363 0.983 . . . . 1.51 111.091 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -36.17 -54.44 0.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.46 1.282 . . . . 1.51 114.46 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.73 -40.77 72.57 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.097 0.406 . . . . 0.84 112.097 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.448 0.299 . . . . 0.95 111.62 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -76.49 -30.84 57.41 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.428 0.691 . . . . 0.85 111.328 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -58.01 -55.11 39.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.795 0.438 . . . . 1.04 111.516 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.36 -19.94 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 123.16 0.287 . . . . 1.1 111.655 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -77.91 -36.79 49.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.195 0.598 . . . . 1.0 110.804 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 17.0 m -59.32 -37.74 78.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.758 0.423 . . . . 1.34 111.82 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.47 -35.73 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 122.232 0.213 . . . . 0.78 111.57 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -81.56 -12.7 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 112.345 0.498 . . . . 0.97 112.345 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -105.98 -33.59 7.87 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.839 0.681 . . . . 0.88 112.839 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -70.56 -37.7 74.04 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.326 0.491 . . . . 0.75 112.326 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -110.13 26.43 10.68 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.385 0.513 . . . . 1.21 112.385 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -76.92 -36.19 56.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.252 0.221 . . . . 3.66 110.503 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -58.75 -33.66 70.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.148 0.579 . . . . 1.51 111.825 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -88.12 -39.59 14.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.91 0.484 . . . . 1.82 111.426 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.45 85.24 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.486 0.921 . . . . 0.91 113.486 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -73.61 -20.51 60.58 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 113.349 0.87 . . . . 2.05 113.349 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -52.18 -47.54 65.48 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.606 0.762 . . . . 1.91 112.922 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.7 -169.72 1.88 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 122.586 0.354 . . . . 1.45 110.622 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.54 139.93 25.88 Favored Glycine 0 C--N 1.361 1.971 0 N-CA-C 114.625 0.61 . . . . 1.1 114.625 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 63.29 139.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.123 0.969 . . . . 3.19 111.834 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -76.08 -47.43 24.6 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.489 0.315 . . . . 1.24 111.721 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.93 52.81 1.18 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.9 0.381 . . . . 1.36 110.441 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.8 t -153.21 115.34 4.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.797 0.439 . . . . 1.36 110.644 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.65 147.32 37.6 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.264 0.225 . . . . 0.9 110.939 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -81.79 169.65 16.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.598 0.359 . . . . 1.1 111.503 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.98 -35.45 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 112.486 0.55 . . . . 0.81 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -107.33 39.59 1.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.73 0.3 . . . . 0.95 111.199 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.92 -48.08 2.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.474 0.31 . . . . 1.61 110.561 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.74 -34.07 77.03 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 122.983 0.177 . . . . 0.78 111.183 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -65.58 -40.48 92.78 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.483 0.313 . . . . 0.9 111.116 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.52 -31.99 71.63 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.271 0.229 . . . . 0.69 110.767 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.04 -35.87 66.81 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.484 0.314 . . . . 0.88 111.129 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.465 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 78.7 t -76.29 -22.99 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 122.465 0.306 . . . . 0.62 111.757 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -106.27 34.44 3.36 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 118.024 0.374 . . . . 0.83 111.197 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -161.19 -53.16 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.96 0.356 . . . . 1.3 111.96 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -107.62 -11.69 15.4 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.836 0.68 . . . . 0.84 112.836 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 2.2 tp -138.0 46.49 1.31 Allowed Pre-proline 0 CA--C 1.561 1.382 0 CA-C-N 118.138 0.427 . . . . 0.88 111.482 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.71 -36.46 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.63 2.22 . . . . 0.52 115.154 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -79.41 -19.78 49.17 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.055 0.761 . . . . 0.95 113.055 -178.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.5 tp -72.81 -60.7 2.11 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.057 0.389 . . . . 1.22 110.557 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -84.01 115.69 22.46 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.788 -0.819 . . . . 0.84 108.788 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.17 -36.01 65.41 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.015 0.746 . . . . 1.78 113.015 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.54 101.85 12.49 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 122.542 0.337 . . . . 1.94 110.575 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -88.15 -32.71 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 116.499 -0.319 . . . . 0.7 111.168 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.1 -35.73 8.0 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 119.806 -0.441 . . . . 0.67 112.711 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -90.52 73.84 6.84 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.142 0.471 . . . . 1.26 110.508 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -6.83 23.11 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.85 -0.614 . . . . 1.59 111.556 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.12 -27.45 69.09 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.367 0.506 . . . . 0.73 112.367 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.86 -42.14 98.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.684 0.393 . . . . 1.1 110.904 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.0 -26.01 21.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 119.381 -0.342 . . . . 1.93 111.611 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.33 -39.4 86.93 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.124 0.416 . . . . 1.04 112.124 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -69.13 -34.33 74.85 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.684 0.22 . . . . 3.0 110.53 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -71.32 -37.93 71.73 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 109.941 -0.392 . . . . 1.0 109.941 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 22.5 mt -68.11 -46.23 71.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.0 0.52 . . . . 0.97 111.17 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.95 72.71 9.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.84 0.352 . . . . 1.32 110.398 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.45 -35.08 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.83 110.807 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -80.58 -31.49 36.79 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.092 0.557 . . . . 1.65 110.811 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 59.95 79.31 0.24 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.058 0.943 . . . . 2.44 111.753 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.57 33.99 0.95 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.676 -0.693 . . . . 1.3 110.871 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m 68.5 -59.6 0.45 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.494 1.118 . . . . 1.67 112.507 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -73.7 157.4 36.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.739 0.415 . . . . 2.4 110.849 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.86 100.11 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.395 0.278 . . . . 1.43 110.263 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -65.32 162.88 16.59 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.647 0.379 . . . . 2.2 110.307 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -28.07 69.62 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 118.21 0.459 . . . . 1.47 111.27 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -69.06 -37.19 78.39 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.782 -0.451 . . . . 1.32 109.782 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.92 -28.69 25.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.889 0.476 . . . . 0.93 110.693 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -81.41 -6.09 58.57 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.298 0.639 . . . . 0.75 111.415 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -19.24 61.99 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.355 0.662 . . . . 1.87 112.535 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -65.82 -29.44 69.91 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.342 0.257 . . . . 2.72 111.614 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -92.24 -37.21 12.8 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 119.458 -0.306 . . . . 0.62 110.491 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.91 -35.98 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 110.255 -0.276 . . . . 1.18 110.255 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.37 90.84 Favored Glycine 0 C--N 1.353 1.528 0 N-CA-C 111.516 -0.634 . . . . 0.44 111.516 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.48 -28.4 67.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.713 0.405 . . . . 0.91 110.986 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.68 -53.68 54.55 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.545 0.338 . . . . 0.89 110.533 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.87 57.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.09 0.774 . . . . 1.12 113.09 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.94 -44.27 11.15 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.12 0.418 . . . . 1.54 111.316 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.63 -14.71 61.66 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.795 0.665 . . . . 1.68 112.795 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.35 -43.14 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 117.895 0.316 . . . . 0.92 111.661 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.61 -33.69 18.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.001 0.371 . . . . 2.09 112.001 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -145.72 90.17 1.97 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.655 0.613 . . . . 1.96 112.655 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -35.41 25.0 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.038 -0.727 . . . . 2.66 109.038 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -132.81 84.48 2.14 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.289 -1.004 . . . . 1.65 108.289 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.28 65.62 4.5 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 121.309 0.576 . . . . 1.72 111.07 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 tp -161.8 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.533 -0.758 . . . . 1.56 110.685 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -91.1 -56.52 3.13 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.519 0.327 . . . . 1.86 110.498 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 pt -103.47 130.12 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 122.661 0.384 . . . . 1.25 110.383 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.92 9.58 5.38 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.076 0.769 . . . . 2.97 113.076 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 119.46 3.84 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 117.959 0.345 . . . . 2.3 111.386 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.173 -0.918 . . . . 2.1 110.584 179.33 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.425 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.467 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.068 0.461 . . . . 3.15 111.538 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.74 170.21 20.31 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.191 -0.459 . . . . 1.19 111.897 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.32 98.37 9.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.885 0.474 . . . . 1.01 111.057 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -113.67 133.21 22.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 122.843 0.457 . . . . 1.02 110.593 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.07 147.5 21.0 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.972 2.448 . . . . 0.95 114.137 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.7 mt -138.93 -69.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.836 0.454 . . . . 1.29 111.041 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.6 p -107.13 174.49 5.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.098 0.559 . . . . 1.34 110.695 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.68 -45.55 91.75 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.453 0.538 . . . . 1.42 112.453 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.31 -39.67 62.72 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.592 0.219 . . . . 0.77 111.592 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.03 -34.09 77.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 110.35 -0.241 . . . . 1.03 110.35 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.03 -31.3 70.87 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 122.801 0.44 . . . . 0.81 111.198 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -63.47 -58.07 8.21 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.816 0.28 . . . . 1.04 111.125 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.08 -27.69 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 111.933 0.345 . . . . 1.07 111.933 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -71.75 -41.5 68.35 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.03 0.532 . . . . 1.0 110.786 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -61.23 -34.49 75.21 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.941 0.497 . . . . 1.16 111.825 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.8 t -69.32 -31.9 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 117.767 0.258 . . . . 0.64 110.85 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.71 -50.2 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.69 0.396 . . . . 0.95 110.444 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -59.99 -46.44 89.47 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.202 1.186 . . . . 0.93 114.202 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -64.43 -42.73 95.86 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.438 0.903 . . . . 0.76 113.438 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -87.64 -32.33 19.33 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.375 0.88 . . . . 1.1 113.375 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.72 -16.87 64.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.73 0.641 . . . . 3.79 112.73 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -61.98 -32.59 73.06 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 117.68 0.218 . . . . 1.74 110.633 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -105.26 -26.62 11.95 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.101 0.561 . . . . 1.82 111.806 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -20.89 61.74 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.546 0.943 . . . . 1.0 113.546 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -68.17 -14.27 62.85 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.196 0.813 . . . . 1.8 113.196 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -71.34 -44.47 65.0 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.398 0.518 . . . . 2.01 112.398 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.13 -178.04 6.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.314 0.246 . . . . 1.59 111.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.8 133.3 40.38 Favored Glycine 0 C--N 1.36 1.872 0 N-CA-C 114.325 0.49 . . . . 1.2 114.325 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 65.11 134.98 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.189 0.996 . . . . 3.16 112.173 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.35 -29.52 34.08 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.069 -0.514 . . . . 1.46 111.483 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -84.12 -13.7 52.27 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.917 0.487 . . . . 1.43 112.141 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 72' ' ' LYS . 22.6 t -97.89 152.87 18.77 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 112.442 0.534 . . . . 1.33 112.442 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.16 152.5 20.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.587 -0.733 . . . . 0.88 109.765 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 t -83.06 147.88 27.87 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 110.336 -0.246 . . . . 0.99 110.336 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.66 -22.37 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 113.404 0.89 . . . . 0.73 113.404 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -101.07 -29.32 12.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.259 0.466 . . . . 0.92 112.259 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.1 -37.53 66.69 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 112.26 0.467 . . . . 1.54 112.26 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -66.19 -38.25 87.55 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.691 0.223 . . . . 0.79 110.603 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.45 -40.01 92.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.564 0.346 . . . . 0.97 110.841 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.09 -34.32 77.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.411 0.284 . . . . 0.73 111.093 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.48 -37.94 88.3 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.723 0.409 . . . . 0.84 110.807 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.98 -32.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.955 0.502 . . . . 0.61 111.425 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -100.76 28.69 4.99 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 122.403 0.281 . . . . 0.8 111.678 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -153.48 -58.38 0.13 Allowed 'General case' 0 C--N 1.36 1.043 0 N-CA-C 112.151 0.426 . . . . 1.41 112.151 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -104.06 -14.99 15.71 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.444 0.905 . . . . 0.97 113.444 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.52 51.69 5.23 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 118.165 0.439 . . . . 0.85 112.151 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -85.41 -32.86 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.232 1.954 . . . . 0.52 114.782 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -69.27 -39.64 78.27 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.51 0.559 . . . . 0.98 112.51 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.61 -56.07 16.28 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.565 0.346 . . . . 1.12 111.517 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.2 mt -93.5 106.08 18.08 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.408 -0.59 . . . . 0.94 109.408 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -60.79 -29.22 69.31 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.581 0.586 . . . . 1.91 112.581 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.32 71.65 5.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 122.397 0.279 . . . . 2.08 111.351 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.5 -38.21 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 116.915 -0.13 . . . . 0.75 111.175 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.64 -28.55 18.75 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-O 119.782 -0.455 . . . . 0.83 112.732 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -99.17 53.08 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-O 121.009 0.433 . . . . 1.26 110.883 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -17.19 38.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.79 0.436 . . . . 1.59 111.379 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.86 -32.79 33.62 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.612 0.968 . . . . 0.77 113.612 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.07 -39.7 93.32 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.876 0.307 . . . . 1.09 110.889 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.71 -30.92 18.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.554 0.342 . . . . 1.92 111.191 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.4 ttp -58.48 -40.23 82.16 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.912 0.485 . . . . 1.09 111.476 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -66.79 -34.46 77.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 122.993 0.183 . . . . 3.13 110.902 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 m -71.09 -34.97 71.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.911 0.484 . . . . 1.0 111.796 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -67.79 -59.17 3.52 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.389 0.276 . . . . 0.96 111.129 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.21 74.6 10.42 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 121.083 0.468 . . . . 1.39 110.558 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.35 -27.25 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 CA-C-N 115.633 -0.712 . . . . 0.82 111.032 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.73 -19.72 63.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.37 0.668 . . . . 1.74 112.335 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 61.79 60.06 1.65 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.843 0.857 . . . . 2.45 112.175 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -144.02 16.4 1.74 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.148 -0.478 . . . . 1.41 112.034 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.1 m 55.39 29.84 13.84 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 113.215 0.82 . . . . 1.61 113.215 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.58 116.92 16.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.887 0.475 . . . . 2.42 110.058 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.89 77.31 1.84 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.758 0.313 . . . . 1.23 111.556 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 7.1 ttpm? -68.96 159.43 32.75 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 118.683 -0.675 . . . . 2.35 109.753 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -28.67 48.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.905 0.705 . . . . 1.43 112.905 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.07 -32.77 73.34 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 109.824 -0.436 . . . . 1.24 109.824 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.25 -40.15 11.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.921 0.888 . . . . 1.03 110.762 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -68.59 -16.36 63.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.852 0.861 . . . . 0.79 111.709 179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -27.55 16.18 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.788 0.835 . . . . 1.98 112.387 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.7 mmm-85 -62.15 -34.51 76.53 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.884 0.473 . . . . 2.48 111.343 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 22.3 tp -88.93 -28.92 19.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.337 0.255 . . . . 0.59 110.508 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mm -59.79 -37.42 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.842 0.457 . . . . 0.91 110.469 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.88 87.63 Favored Glycine 0 C--N 1.354 1.531 0 N-CA-C 111.598 -0.601 . . . . 0.49 111.598 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -22.94 62.9 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.77 0.428 . . . . 0.86 111.249 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.51 -43.52 89.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.379 0.672 . . . . 0.95 111.004 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.94 -18.55 21.81 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.732 0.641 . . . . 1.12 112.732 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -77.5 -48.6 16.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.821 0.282 . . . . 1.46 110.786 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.09 -30.94 69.57 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.447 0.906 . . . . 1.65 113.447 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -38.59 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 118.894 0.77 . . . . 0.93 111.517 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -102.24 10.2 39.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.719 0.637 . . . . 2.16 112.719 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt 179.76 63.89 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.394 0.678 . . . . 1.87 111.288 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -42.48 29.24 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 122.382 -0.199 . . . . 2.47 111.115 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.57 65.79 1.33 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.449 -0.945 . . . . 1.83 108.449 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.29 68.09 0.73 Allowed 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 121.262 0.553 . . . . 1.81 111.517 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.34 -48.71 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.876 0.871 . . . . 1.45 109.932 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -87.89 -55.05 3.93 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.103 0.561 . . . . 2.03 110.732 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 pt -115.29 138.7 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 1.24 110.064 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -143.36 37.93 1.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.313 0.486 . . . . 2.8 112.313 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 90.76 0.4 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.329 0.252 . . . . 2.08 111.451 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 tttp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.018 0.437 . . . . 1.94 110.609 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 112.472 0.545 . . . . 2.04 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 160.44 14.53 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.821 0.448 . . . . 0.9 110.57 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.17 111.11 22.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.124 0.169 . . . . 1.0 111.429 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -104.48 142.29 24.31 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.046 0.539 . . . . 1.1 111.573 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.11 128.85 30.32 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.203 2.602 . . . . 1.08 114.121 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -135.19 -153.3 0.51 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.294 0.638 . . . . 1.32 110.509 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -56.41 159.8 3.46 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.915 0.78 . . . . 1.51 110.796 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.17 -46.78 12.29 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.558 0.947 . . . . 1.51 113.558 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.35 -41.36 73.25 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.811 0.301 . . . . 0.84 111.811 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.77 -24.48 60.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.565 0.346 . . . . 0.95 111.515 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -84.1 -31.19 25.41 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.464 0.706 . . . . 0.85 111.448 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -59.26 -51.54 69.51 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.858 0.299 . . . . 1.04 110.955 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -69.82 -23.87 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 111.948 0.351 . . . . 1.1 111.948 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -38.23 66.78 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.995 0.518 . . . . 1.0 111.061 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -59.07 -35.68 73.78 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.41 0.522 . . . . 1.34 112.41 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.65 -31.06 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 122.311 0.244 . . . . 0.78 110.683 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 50.3 t -74.34 -58.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.015 0.526 . . . . 0.97 110.686 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -58.6 -35.61 72.72 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.822 1.045 . . . . 0.88 113.822 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -42.15 82.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 119.373 -0.346 . . . . 0.75 111.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -111.11 26.07 11.09 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.087 0.773 . . . . 1.21 113.087 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -80.55 -40.38 26.01 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.422 0.556 . . . . 3.66 109.897 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 28.6 m -59.9 -31.21 69.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.861 0.464 . . . . 1.51 111.004 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.34 -32.84 19.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.737 0.415 . . . . 1.82 111.039 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.68 -23.96 58.71 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.792 0.664 . . . . 0.91 112.792 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -86.3 5.11 36.06 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 112.832 0.678 . . . . 2.05 112.832 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.02 -44.4 20.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.552 0.341 . . . . 1.91 111.503 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -107.81 176.72 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.719 0.408 . . . . 1.45 111.219 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.2 123.61 0.01 OUTLIER Glycine 0 C--N 1.362 2.0 0 N-CA-C 116.736 1.454 . . . . 1.1 116.736 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 65.28 146.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.333 1.053 . . . . 3.19 112.616 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -80.77 -36.0 32.45 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.115 -0.493 . . . . 1.24 110.512 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.59 46.59 0.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.012 0.525 . . . . 1.36 110.104 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.72 139.0 18.41 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.959 0.504 . . . . 1.36 110.878 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.2 153.23 18.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.892 0.477 . . . . 0.9 110.624 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -83.88 164.67 19.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.279 0.232 . . . . 1.1 110.676 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.95 -27.4 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 112.54 0.57 . . . . 0.81 112.54 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -95.45 -32.45 12.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.179 0.437 . . . . 0.95 112.179 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.18 -41.07 77.67 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.738 0.644 . . . . 1.61 112.738 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.57 -35.87 79.85 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 111.52 0.193 . . . . 0.78 111.52 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.711 0.404 . . . . 0.9 110.819 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.06 -32.71 74.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.533 0.333 . . . . 0.69 110.777 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.73 -37.65 70.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.874 0.47 . . . . 0.88 111.003 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.39 -29.12 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.609 0.364 . . . . 0.62 111.091 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.22 40.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.641 0.257 . . . . 0.83 111.103 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -159.85 -57.15 0.06 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 122.255 -0.278 . . . . 1.3 111.521 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -109.21 -13.38 14.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.462 0.542 . . . . 0.84 112.462 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 tp -133.29 42.54 0.86 Allowed Pre-proline 0 CA--C 1.566 1.591 0 N-CA-C 112.417 0.525 . . . . 0.88 112.417 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.09 -38.3 0.45 Allowed 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.069 1.846 . . . . 0.52 114.799 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -72.61 -22.21 61.0 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.525 0.565 . . . . 0.95 112.525 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 tp -73.03 -64.88 0.88 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 117.844 0.293 . . . . 1.22 110.785 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.33 99.59 12.09 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.682 -0.859 . . . . 0.84 108.682 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -45.86 -41.41 11.18 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.327 0.862 . . . . 1.78 113.327 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -91.32 85.2 5.74 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 110.223 -0.288 . . . . 1.94 110.223 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.76 -30.5 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 112.319 0.488 . . . . 0.7 112.319 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.76 -48.09 6.36 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.695 -0.503 . . . . 0.67 113.393 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -99.69 63.04 1.21 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 117.037 0.419 . . . . 1.26 110.691 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -95.41 67.87 2.95 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.937 -0.764 . . . . 1.59 108.937 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.15 -32.85 5.21 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.171 -0.922 . . . . 0.73 111.403 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.45 -40.29 86.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.663 0.385 . . . . 1.1 110.876 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.66 -42.9 23.82 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 122.585 0.354 . . . . 1.93 110.289 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 42.9 ttp -49.84 -38.24 34.13 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.922 0.712 . . . . 1.04 112.922 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -73.2 -40.58 64.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.231 0.212 . . . . 3.0 111.105 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -71.42 -25.58 62.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.73 0.412 . . . . 1.0 111.392 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 52.6 mt -72.38 -61.83 1.66 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.885 0.474 . . . . 0.97 110.674 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -90.05 84.23 6.14 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.753 0.421 . . . . 1.32 109.972 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 p -89.54 -21.27 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.672 -0.695 . . . . 0.83 111.971 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -76.0 -21.0 57.37 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 112.628 0.603 . . . . 1.65 112.628 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.88 61.0 1.73 Allowed 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.475 0.71 . . . . 2.44 111.313 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.36 15.44 2.58 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.328 0.492 . . . . 1.3 112.328 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 60.32 27.66 17.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.507 0.723 . . . . 1.67 112.686 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -134.73 127.22 30.56 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.655 0.382 . . . . 2.4 110.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.55 73.44 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.983 0.42 . . . . 1.43 110.38 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.06 171.32 1.29 Allowed 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.019 -0.734 . . . . 2.2 109.019 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -65.79 -19.75 66.0 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.492 1.042 . . . . 1.47 111.693 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -77.42 -32.01 54.4 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.547 -0.538 . . . . 1.32 109.547 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -86.2 -43.8 12.7 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.639 0.776 . . . . 0.93 110.068 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -69.48 -13.95 62.62 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.845 0.858 . . . . 0.75 111.271 178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -39.39 -40.08 0.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.602 1.561 . . . . 1.87 113.185 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -69.57 -32.1 70.67 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.752 1.019 . . . . 2.72 113.752 -178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.59 -35.84 60.47 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.753 0.706 . . . . 0.62 111.682 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.3 mm -61.57 -38.17 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.185 -0.672 . . . . 1.18 109.185 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.63 -43.37 52.4 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 111.44 -0.664 . . . . 0.44 111.44 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.01 -22.42 62.16 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.495 0.318 . . . . 0.91 111.491 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -52.41 63.85 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.994 0.518 . . . . 0.89 109.791 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.13 -29.3 54.66 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.929 -0.578 . . . . 1.12 111.899 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.46 -27.47 65.26 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.76 0.254 . . . . 1.54 110.87 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -100.62 31.18 3.59 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 122.628 0.371 . . . . 1.68 111.927 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.4 -37.11 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.999 0.519 . . . . 0.92 110.422 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -43.41 2.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 122.683 0.393 . . . . 2.09 111.267 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -104.89 41.68 1.31 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 112.045 0.387 . . . . 1.96 112.045 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -38.53 66.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.437 0.295 . . . . 2.66 111.012 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -141.71 70.6 1.34 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.397 0.679 . . . . 1.65 109.466 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.95 -24.96 67.31 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.716 1.006 . . . . 1.72 113.716 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 mp -87.21 -44.45 11.45 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.375 0.509 . . . . 1.56 112.375 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -75.28 -60.66 2.2 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.193 0.442 . . . . 1.86 112.193 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.7 pt -109.68 143.1 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.777 0.431 . . . . 1.25 111.234 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -149.23 30.82 0.76 Allowed 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 113.685 0.994 . . . . 2.97 113.685 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -164.84 78.45 0.33 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.071 0.463 . . . . 2.3 111.547 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.054 -0.974 . . . . 2.1 110.67 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.482 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.466 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.292 0.567 . . . . 3.15 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.31 152.68 39.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.487 -0.779 . . . . 1.19 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.56 108.06 18.41 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.709 -0.223 . . . . 1.01 111.261 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -127.88 143.71 48.73 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 123.213 0.605 . . . . 1.02 110.691 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.2 145.82 15.46 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.636 2.224 . . . . 0.95 114.144 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -139.51 -62.03 0.53 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.081 0.552 . . . . 1.29 111.904 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -117.77 163.58 16.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.561 0.744 . . . . 1.34 110.544 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.72 -49.5 70.6 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.67 0.619 . . . . 1.42 112.67 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.36 -37.58 63.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 117.918 0.326 . . . . 0.77 111.68 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -63.68 -38.35 90.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.262 0.225 . . . . 1.03 110.434 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.07 -35.76 80.53 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.483 0.713 . . . . 0.81 111.644 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -55.68 -57.03 13.68 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.346 0.258 . . . . 1.04 111.14 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -71.71 -21.57 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 112.222 0.453 . . . . 1.07 112.222 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.19 -36.26 35.18 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.132 0.573 . . . . 1.0 111.979 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.67 -33.69 76.54 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.432 0.293 . . . . 1.16 111.686 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.38 -33.98 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.545 0.338 . . . . 0.64 111.048 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.53 -45.84 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 119.299 -0.381 . . . . 0.95 111.357 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.711 0.634 . . . . 0.93 112.711 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -62.46 -42.1 99.24 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 111.577 0.214 . . . . 0.76 111.577 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -112.33 42.8 1.73 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.683 0.278 . . . . 1.1 111.071 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -91.92 -41.75 10.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.783 0.433 . . . . 3.79 110.342 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -61.81 -34.24 75.56 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.14 0.576 . . . . 1.74 111.506 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -79.19 -38.18 36.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.509 0.324 . . . . 1.82 111.134 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.25 71.32 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.787 0.662 . . . . 1.0 112.787 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -79.48 -11.86 59.89 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 112.339 0.496 . . . . 1.8 112.339 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.35 -46.39 83.68 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.334 0.254 . . . . 2.01 111.086 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -93.07 -179.88 5.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.669 0.388 . . . . 1.59 110.606 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.24 139.11 26.19 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.501 0.961 . . . . 1.2 115.501 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 68.06 137.6 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.649 1.18 . . . . 3.16 112.409 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -74.52 -37.7 63.0 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.058 -0.519 . . . . 1.46 111.233 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -97.91 44.99 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.661 0.384 . . . . 1.43 110.423 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 t -146.84 141.1 26.27 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 112.323 0.49 . . . . 1.33 112.323 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -101.99 160.84 14.15 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.244 -0.65 . . . . 0.88 109.244 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -97.0 162.6 13.31 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.634 0.235 . . . . 0.99 111.634 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.01 -31.37 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.039 0.536 . . . . 0.73 112.085 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -91.83 -30.67 16.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.817 0.447 . . . . 0.92 110.945 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -69.51 -36.46 76.49 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.381 0.511 . . . . 1.54 112.381 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -38.36 71.83 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.882 -0.414 . . . . 0.79 109.882 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.02 -39.96 95.27 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 122.739 0.416 . . . . 0.97 110.783 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.21 -31.6 70.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.568 0.347 . . . . 0.73 110.736 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.0 -32.16 70.2 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.752 0.421 . . . . 0.84 111.612 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.8 t -82.83 -26.17 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.159 0.583 . . . . 0.61 111.419 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.05 32.99 4.2 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.787 0.292 . . . . 0.8 111.787 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -157.65 -58.74 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 O-C-N 122.03 -0.419 . . . . 1.41 112.109 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -104.25 -12.54 16.59 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.541 0.571 . . . . 0.97 112.541 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.09 44.72 1.1 Allowed Pre-proline 0 CA--C 1.567 1.606 0 N-CA-C 112.457 0.54 . . . . 0.85 112.457 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -82.87 -28.66 1.56 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 122.592 2.195 . . . . 0.52 114.614 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -76.27 -27.4 56.67 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.485 0.55 . . . . 0.98 112.485 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.66 -62.71 1.32 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.614 0.188 . . . . 1.12 111.157 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -85.56 110.88 19.54 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 108.932 -0.766 . . . . 0.94 108.932 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -31.8 69.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.57 0.581 . . . . 1.91 112.57 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.14 92.16 8.84 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.481 -0.563 . . . . 2.08 109.481 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.24 -18.09 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 112.89 0.7 . . . . 0.75 112.89 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.2 -60.46 0.75 Allowed Glycine 0 C--N 1.355 1.62 0 CA-C-N 117.932 0.333 . . . . 0.83 113.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 t -83.66 88.81 7.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.956 0.354 . . . . 1.26 111.956 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.74 27.86 8.06 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.408 . . . . 1.59 111.383 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.04 -26.23 63.0 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 122.096 -0.377 . . . . 0.77 111.537 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.1 -36.09 72.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.714 0.406 . . . . 1.09 111.339 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -94.37 -22.76 18.12 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.308 0.484 . . . . 1.92 112.308 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 51.0 ttp -65.25 -43.07 92.51 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.341 0.519 . . . . 1.09 110.643 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -69.87 -34.93 74.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.226 0.329 . . . . 3.13 110.388 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.6 m -69.37 -36.23 76.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.771 0.429 . . . . 1.0 110.574 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.8 mt -66.61 -61.66 1.86 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.192 0.597 . . . . 0.96 110.705 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.43 82.43 8.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.661 0.384 . . . . 1.39 110.979 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -96.95 -26.73 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.101 -0.499 . . . . 0.82 110.973 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -77.71 -33.48 53.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.212 0.605 . . . . 1.74 111.507 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 68.64 58.89 0.39 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.313 1.045 . . . . 2.45 112.434 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.0 14.7 5.23 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.907 -0.588 . . . . 1.41 111.157 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t 76.53 -52.78 0.59 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.413 1.085 . . . . 1.61 112.199 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.73 125.16 28.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.493 0.317 . . . . 2.42 111.232 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -90.68 88.74 7.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.436 0.295 . . . . 1.23 110.505 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -66.21 165.1 14.41 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 119.358 -0.353 . . . . 2.35 110.443 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.9 -25.04 60.29 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.314 0.506 . . . . 1.43 112.325 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -72.09 -30.3 64.96 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.799 -0.445 . . . . 1.24 109.799 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -37.12 22.68 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.366 0.666 . . . . 1.03 109.801 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.27 -21.44 61.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.1 0.56 . . . . 0.79 110.788 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -51.02 -35.35 33.75 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.74 1.216 . . . . 1.98 112.986 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -63.37 -39.43 94.5 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.262 0.467 . . . . 2.48 112.262 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.5 tp -74.02 -26.02 60.2 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.536 -0.268 . . . . 0.59 111.475 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.9 mm -65.44 -34.66 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 110.143 -0.317 . . . . 0.91 110.143 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.51 -47.24 91.77 Favored Glycine 0 C--N 1.358 1.765 0 N-CA-C 112.497 -0.241 . . . . 0.49 112.497 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.07 -17.11 57.4 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.768 0.427 . . . . 0.86 111.876 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -61.37 -50.07 74.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.505 0.722 . . . . 0.95 111.445 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.66 -16.67 31.78 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.181 0.437 . . . . 1.12 112.181 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -78.16 -26.76 47.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.564 0.346 . . . . 1.46 111.289 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.65 -15.19 24.19 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.603 0.964 . . . . 1.65 113.603 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -38.56 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 118.913 0.779 . . . . 0.93 111.618 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -97.78 -35.5 10.51 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.175 0.435 . . . . 2.16 112.175 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -137.77 68.98 1.4 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.387 0.514 . . . . 1.87 112.387 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -34.56 77.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 122.3 -0.25 . . . . 2.47 110.609 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -131.62 85.06 2.22 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.65 -0.87 . . . . 1.83 108.65 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.92 70.76 5.31 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 1.81 111.996 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 tp -176.44 -46.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.503 -0.771 . . . . 1.45 110.579 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -85.05 -53.46 5.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.126 0.571 . . . . 2.03 110.86 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.47 132.89 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 122.99 0.516 . . . . 1.24 110.855 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -145.52 40.61 1.21 Allowed 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.717 0.636 . . . . 2.8 112.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -168.79 94.49 0.34 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.045 0.45 . . . . 2.08 111.344 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-N 116.312 -0.404 . . . . 1.94 110.313 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.479 0.548 . . . . 2.04 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.72 129.58 42.72 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 122.675 0.39 . . . . 0.9 111.079 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.65 108.38 4.97 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.628 -0.26 . . . . 1.0 111.525 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -98.35 143.31 26.06 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.21 0.604 . . . . 1.1 110.978 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -59.16 129.37 31.34 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.918 2.412 . . . . 1.08 113.725 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 mt -133.45 -133.98 0.17 Allowed 'General case' 0 CA--C 1.564 1.496 0 CA-C-O 118.948 -0.548 . . . . 1.32 110.557 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -68.12 163.32 22.8 Favored 'General case' 0 C--N 1.368 1.381 0 CA-C-N 119.172 0.896 . . . . 1.51 110.866 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.32 -43.07 53.66 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.035 0.754 . . . . 1.51 113.035 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.83 -41.94 58.96 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.712 0.233 . . . . 0.84 110.952 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.62 -30.67 68.45 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.745 0.418 . . . . 0.95 110.976 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.99 -31.43 62.96 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.553 0.741 . . . . 0.85 111.355 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -61.78 -53.5 55.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.527 0.331 . . . . 1.04 111.081 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.31 -21.1 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 122.443 0.297 . . . . 1.1 111.463 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -78.52 -37.68 42.43 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.388 0.675 . . . . 1.0 110.811 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 26.8 m -57.57 -39.55 77.0 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.995 0.518 . . . . 1.34 111.551 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.72 -29.1 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.495 0.318 . . . . 0.78 111.064 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.4 -22.7 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.969 0.507 . . . . 0.97 111.823 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 30.6 p -97.62 -11.66 23.34 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.865 0.691 . . . . 0.88 112.865 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -98.39 -56.76 2.37 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.188 0.44 . . . . 0.75 112.188 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -94.73 -41.63 9.16 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.81 1.041 . . . . 1.21 113.81 -178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.08 -16.69 20.48 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.137 0.791 . . . . 3.66 113.137 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -68.98 -39.39 79.42 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.719 -0.475 . . . . 1.51 109.719 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -83.28 -16.0 47.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.268 0.627 . . . . 1.82 111.834 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 5.29 20.0 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.13 1.159 . . . . 0.91 114.13 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -81.85 -1.11 46.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.451 0.537 . . . . 2.05 112.451 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -64.11 -50.77 66.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.713 0.405 . . . . 1.91 112.082 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.03 -178.98 6.68 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 110.34 -0.245 . . . . 1.45 110.34 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.66 143.6 17.83 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.692 0.637 . . . . 1.1 114.692 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? 66.79 148.52 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.088 0.955 . . . . 3.19 112.795 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -91.84 -37.67 12.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.817 -0.629 . . . . 1.24 110.114 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -90.01 52.79 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.427 0.632 . . . . 1.36 110.408 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.5 p -152.57 156.95 40.32 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.576 -0.738 . . . . 1.36 110.584 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.61 132.69 53.98 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.675 -0.491 . . . . 0.9 109.675 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.5 t -64.1 143.94 57.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.453 0.301 . . . . 1.1 111.788 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.53 -21.73 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 113.196 0.814 . . . . 0.81 113.196 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -97.2 -32.74 11.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.602 0.361 . . . . 0.95 111.646 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.48 -33.08 48.47 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.156 0.799 . . . . 1.61 113.156 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -65.51 -33.09 75.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.483 0.583 . . . . 0.78 111.619 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.47 -38.6 74.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 0.9 111.009 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.35 -29.43 61.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.42 0.288 . . . . 0.69 111.42 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -63.33 -44.61 94.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.584 0.353 . . . . 0.88 111.054 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.94 -20.17 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.853 0.461 . . . . 0.62 111.832 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -89.12 -19.01 26.07 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.683 0.623 . . . . 0.83 112.683 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -113.94 -57.48 2.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -96.49 -11.0 26.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.135 1.161 . . . . 0.84 114.135 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tp -136.98 42.48 0.67 Allowed Pre-proline 0 CA--C 1.566 1.563 0 CA-C-N 119.067 0.849 . . . . 0.88 112.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.41 -37.25 0.23 Allowed 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.255 1.97 . . . . 0.52 114.374 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -68.21 -34.23 75.87 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.341 0.497 . . . . 0.95 112.341 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 tp -68.44 -63.59 1.03 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.836 0.454 . . . . 1.22 111.17 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.67 109.62 19.31 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.84 109.318 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -57.31 -33.06 67.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.849 0.46 . . . . 1.78 112.144 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.46 84.25 7.72 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.759 -0.46 . . . . 1.94 109.759 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.76 -31.04 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 N-CA-C 112.812 0.671 . . . . 0.7 112.812 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.2 -41.7 5.46 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.038 -0.312 . . . . 0.67 113.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.9 t -100.97 81.73 2.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.602 0.361 . . . . 1.26 110.953 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.08 1.58 47.14 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.439 0.533 . . . . 1.59 112.439 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.36 -30.48 62.72 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.007 0.743 . . . . 0.73 113.007 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -70.16 -39.84 75.09 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 122.356 0.263 . . . . 1.1 111.02 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -110.75 58.02 0.61 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.336 0.589 . . . . 1.93 109.683 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -141.89 -53.88 0.44 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.326 -0.852 . . . . 1.04 109.407 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -74.73 -34.53 62.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.752 0.421 . . . . 3.0 109.946 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 27.2 m -67.87 -34.76 77.3 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.111 0.564 . . . . 1.0 111.055 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.17 -67.51 0.46 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.259 0.349 . . . . 0.97 110.456 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.07 86.56 4.89 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.944 0.402 . . . . 1.32 110.006 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -20.81 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 115.642 -0.708 . . . . 0.83 112.156 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.853 0.686 . . . . 1.65 112.853 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.67 53.39 6.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.197 0.599 . . . . 2.44 111.221 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.39 6.57 10.13 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.244 -0.435 . . . . 1.3 112.088 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.5 m 61.36 24.4 14.51 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.567 0.747 . . . . 1.67 112.24 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -141.92 107.49 5.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.538 0.735 . . . . 2.4 109.186 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.26 90.29 7.51 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.658 0.244 . . . . 1.43 111.658 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -70.98 -179.5 2.31 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.578 -0.897 . . . . 2.2 108.578 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.07 -27.09 63.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.001 0.819 . . . . 1.47 111.428 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.68 -26.33 63.38 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 110.011 -0.366 . . . . 1.32 110.011 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.73 -47.39 7.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.5 0.72 . . . . 0.93 110.478 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -69.07 -14.83 63.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.458 0.703 . . . . 0.75 112.308 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -48.96 -31.42 7.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.342 1.057 . . . . 1.87 112.799 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 mmm-85 -63.79 -27.36 69.13 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.576 0.584 . . . . 2.72 112.576 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.3 tp -92.36 -33.19 14.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.076 0.398 . . . . 0.62 111.374 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -57.84 -39.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 109.987 -0.375 . . . . 1.18 109.987 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.47 -41.3 77.49 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 110.631 -0.987 . . . . 0.44 110.631 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.87 -24.25 66.82 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 122.778 0.431 . . . . 0.91 111.227 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.89 -53.7 46.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.146 -0.316 . . . . 0.89 110.146 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.88 -15.67 56.91 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.492 0.553 . . . . 1.12 112.492 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -86.8 -34.85 19.43 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.104 0.411 . . . . 1.54 110.653 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -91.18 31.22 1.14 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.645 0.378 . . . . 1.68 111.761 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.67 -36.92 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.211 0.605 . . . . 0.92 109.791 178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -115.75 -42.4 3.11 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.59 0.756 . . . . 2.09 111.443 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -105.55 42.11 1.28 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.607 0.241 . . . . 1.96 111.609 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.35 -43.11 61.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.687 -0.486 . . . . 2.66 109.687 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -131.95 61.27 1.66 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.94 -0.763 . . . . 1.65 108.94 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.45 70.95 3.07 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.57 0.7 . . . . 1.72 112.093 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -175.07 -45.9 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.134 -0.939 . . . . 1.56 109.368 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -82.23 -50.15 9.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.608 0.763 . . . . 1.86 110.237 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.65 148.19 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.073 0.549 . . . . 1.25 110.63 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -139.06 18.04 2.62 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.876 0.695 . . . . 2.97 112.876 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -160.01 110.23 1.86 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.081 0.4 . . . . 2.3 111.616 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 39.3 tttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.114 -0.946 . . . . 2.1 111.007 179.329 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.415 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.461 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 113.207 0.817 . . . . 3.15 113.207 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 156.44 18.04 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 117.961 0.346 . . . . 1.19 111.38 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.34 93.42 5.66 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 116.165 -0.471 . . . . 1.01 110.605 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.16 135.28 19.67 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 116.33 -0.395 . . . . 1.02 110.921 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.38 136.48 14.17 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.582 2.188 . . . . 0.95 113.066 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -132.21 -61.05 0.88 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.457 0.303 . . . . 1.29 111.126 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.0 167.85 10.18 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.566 -0.531 . . . . 1.34 109.566 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.93 -45.02 91.43 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.272 0.471 . . . . 1.42 112.272 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -72.22 -33.9 67.93 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.229 0.455 . . . . 0.77 112.229 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.85 -37.19 70.3 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.133 -0.321 . . . . 1.03 110.133 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.95 -28.52 65.64 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.235 0.614 . . . . 0.81 111.6 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -60.87 -53.4 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.865 0.466 . . . . 1.04 111.567 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -78.49 -17.43 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 112.057 0.392 . . . . 1.07 112.057 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -75.27 -34.61 61.36 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.238 0.615 . . . . 1.0 110.436 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.8 m -62.63 -35.13 78.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.242 0.617 . . . . 1.16 111.704 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.57 -28.85 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 122.37 0.268 . . . . 0.64 110.905 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -81.31 -55.4 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 122.853 0.461 . . . . 0.95 110.936 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -63.48 -35.34 80.15 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.931 1.085 . . . . 0.93 113.931 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.8 m -68.97 -41.87 77.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.394 0.516 . . . . 0.76 112.394 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -103.2 6.55 38.35 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.871 1.063 . . . . 1.1 113.871 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.42 -31.37 70.64 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.699 0.682 . . . . 3.79 110.938 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 m -57.94 -37.43 74.11 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.112 0.565 . . . . 1.74 112.351 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -95.14 -24.06 17.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.602 0.594 . . . . 1.82 112.602 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.27 -19.29 31.8 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.747 0.647 . . . . 1.0 112.747 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -79.44 -36.77 38.39 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.326 0.861 . . . . 1.8 113.326 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.36 -19.17 60.54 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.657 0.984 . . . . 2.01 113.657 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -133.91 118.27 17.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.446 0.566 . . . . 1.59 111.827 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.78 81.66 0.26 Allowed Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.53 -0.595 . . . . 1.2 114.426 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 58.12 172.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.599 0.76 . . . . 3.16 112.759 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.82 -47.24 9.23 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.621 -0.263 . . . . 1.46 111.226 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -98.34 46.29 1.0 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.923 0.392 . . . . 1.43 110.888 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -152.78 137.2 16.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.924 0.49 . . . . 1.33 110.628 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.54 160.15 17.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.6 0.36 . . . . 0.88 111.187 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -88.11 157.29 18.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.707 0.403 . . . . 0.99 110.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -73.48 -25.65 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 112.656 0.613 . . . . 0.73 112.656 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.64 -27.06 14.17 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.285 0.476 . . . . 0.92 112.285 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.91 -31.46 40.19 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.788 0.662 . . . . 1.54 112.788 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -66.29 -33.45 75.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.444 0.566 . . . . 0.79 111.195 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -65.81 -36.44 83.51 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.121 0.568 . . . . 0.97 110.733 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.59 -30.96 68.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.809 0.444 . . . . 0.73 110.909 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 21.7 tp -66.89 -32.62 74.0 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.774 0.429 . . . . 0.84 111.175 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.16 -23.71 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 122.898 0.479 . . . . 0.61 111.566 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -100.96 1.24 39.54 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 113.264 0.838 . . . . 0.8 113.264 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.52 -61.2 1.02 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.947 0.794 . . . . 1.41 112.575 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -97.02 -3.41 41.54 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.072 0.767 . . . . 0.97 113.072 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 56.61 3.52 Favored Pre-proline 0 CA--C 1.558 1.263 0 CA-C-N 118.192 0.451 . . . . 0.85 111.84 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -88.18 -32.07 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.252 1.968 . . . . 0.52 115.608 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -79.94 -15.97 56.21 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.63 0.974 . . . . 0.98 113.63 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.69 -56.63 4.36 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.264 0.484 . . . . 1.12 111.289 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.53 113.7 25.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.316 -0.624 . . . . 0.94 109.316 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -33.82 31.38 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 113.172 0.804 . . . . 1.91 113.172 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.25 93.73 8.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.606 0.362 . . . . 2.08 110.419 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.22 -32.33 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 116.46 -0.336 . . . . 0.75 111.631 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.47 -22.44 10.42 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.599 -0.556 . . . . 0.83 113.104 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -96.74 74.32 2.7 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 117.544 0.672 . . . . 1.26 111.475 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.75 13.5 34.26 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.982 0.513 . . . . 1.59 111.392 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.17 -36.64 74.82 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 117.962 0.346 . . . . 0.77 111.611 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.98 -28.15 65.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.441 0.296 . . . . 1.09 111.678 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.93 -45.52 9.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.361 0.264 . . . . 1.92 110.645 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 55.1 ttp -55.79 -33.5 64.44 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.645 0.609 . . . . 1.09 112.645 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -67.48 -42.68 82.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.239 0.215 . . . . 3.13 111.224 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -69.9 -32.72 71.18 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.089 0.243 . . . . 1.0 111.269 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.7 mt -72.43 -52.92 13.77 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.155 0.285 . . . . 0.96 110.815 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.17 63.39 8.08 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 120.935 0.398 . . . . 1.39 111.417 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.37 -31.47 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-N 116.288 -0.414 . . . . 0.82 110.269 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.65 -30.29 66.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.278 0.631 . . . . 1.74 110.758 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 64.17 78.68 0.28 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.269 1.028 . . . . 2.45 112.75 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -158.78 17.5 0.19 Allowed 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.698 0.629 . . . . 1.41 112.698 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 m 56.17 26.34 10.17 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.187 0.81 . . . . 1.61 113.187 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -135.96 98.72 3.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.69 0.396 . . . . 2.42 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -81.91 80.38 8.2 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.207 -0.451 . . . . 1.23 111.187 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -68.62 158.82 33.23 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.582 -0.895 . . . . 2.35 108.582 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -23.71 51.42 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 119.137 0.881 . . . . 1.43 113.013 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.89 -32.51 72.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 110.019 -0.363 . . . . 1.24 110.019 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.65 -40.13 9.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.604 0.762 . . . . 1.03 110.835 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -69.4 -10.83 59.7 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.028 0.931 . . . . 0.79 112.308 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -19.49 61.76 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.723 0.638 . . . . 1.98 112.723 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -70.66 -29.56 65.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.016 0.371 . . . . 2.48 111.623 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 tp -84.52 -32.99 23.6 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 119.466 -0.302 . . . . 0.59 110.358 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.6 mm -68.29 -31.97 53.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 109.483 -0.562 . . . . 0.91 109.483 177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.74 96.09 Favored Glycine 0 C--N 1.358 1.785 0 N-CA-C 111.36 -0.696 . . . . 0.49 111.36 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -80.28 -26.25 39.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.14 0.576 . . . . 0.86 110.095 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.41 -45.42 91.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.683 0.793 . . . . 0.95 111.428 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.071 0.397 . . . . 1.12 112.071 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -75.22 -31.38 60.85 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 119.611 -0.233 . . . . 1.46 111.531 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -97.24 32.24 2.25 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.062 0.764 . . . . 1.65 113.062 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -102.73 -40.31 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 108.427 -0.953 . . . . 0.93 108.427 176.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -32.88 12.62 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.467 0.707 . . . . 2.16 111.821 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -130.05 61.2 1.58 Allowed 'General case' 0 C--N 1.36 1.047 0 N-CA-C 112.503 0.557 . . . . 1.87 112.503 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -36.24 56.8 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.607 -0.516 . . . . 2.47 109.607 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -139.36 51.27 1.77 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.651 -0.87 . . . . 1.83 108.651 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -50.81 -34.08 26.17 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.149 1.166 . . . . 1.81 114.149 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.011 0.194 . . . . 1.45 111.52 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -97.88 -55.08 2.9 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.031 0.532 . . . . 2.03 111.527 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.46 131.12 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.245 0.618 . . . . 1.24 111.9 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -137.19 31.29 2.66 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.354 0.502 . . . . 2.8 112.354 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -159.71 94.08 1.12 Allowed 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.22 -0.3 . . . . 2.08 111.034 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.9 tttp . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.859 0.362 . . . . 1.94 110.679 -179.512 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 CA--C 1.549 0.927 0 CA-C-O 120.407 0.146 . . . . 2.04 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 143.06 47.31 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 122.809 0.443 . . . . 0.9 111.08 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.68 112.62 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.404 0.281 . . . . 1.0 111.378 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.93 132.54 26.87 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 122.767 0.427 . . . . 1.1 110.387 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.95 130.28 28.67 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.79 2.327 . . . . 1.08 113.359 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -132.41 -147.38 0.31 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.397 0.679 . . . . 1.32 110.513 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -57.66 161.85 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 119.28 0.946 . . . . 1.51 112.013 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.6 -48.49 7.62 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 113.957 1.095 . . . . 1.51 113.957 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -67.86 -42.69 80.93 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 117.899 0.318 . . . . 0.84 111.283 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.8 -28.37 65.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.457 0.303 . . . . 0.95 111.109 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.6 -27.49 60.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.218 0.607 . . . . 0.85 110.76 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -59.56 -48.86 80.0 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.005 0.522 . . . . 1.04 111.6 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -78.87 -27.48 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 122.411 0.284 . . . . 1.1 111.536 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -68.84 -41.34 78.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.349 0.66 . . . . 1.0 110.852 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 15.5 p -61.54 -32.0 72.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.791 0.437 . . . . 1.34 112.021 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.28 -29.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 122.21 0.204 . . . . 0.78 110.624 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.31 -59.49 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-O 119.595 -0.24 . . . . 0.97 110.888 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -57.98 -39.76 78.99 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 113.767 1.025 . . . . 0.88 113.767 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -67.16 -27.04 66.97 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.607 0.595 . . . . 0.75 112.607 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -129.43 32.57 4.63 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.165 0.802 . . . . 1.21 113.165 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.37 -34.36 14.91 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.507 -0.553 . . . . 3.66 109.507 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.4 m -60.2 -39.03 85.12 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.291 0.637 . . . . 1.51 111.439 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -78.57 -37.97 41.34 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.719 0.408 . . . . 1.82 110.523 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.7 -23.47 67.26 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.766 0.654 . . . . 0.91 112.766 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -91.52 17.78 8.21 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.274 0.472 . . . . 2.05 112.274 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -91.82 -43.11 9.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 122.691 0.396 . . . . 1.91 111.232 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -103.82 -171.5 1.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.122 0.569 . . . . 1.45 110.706 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.13 136.79 5.29 Favored Glycine 0 C--N 1.363 2.062 0 N-CA-C 115.274 0.87 . . . . 1.1 115.274 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 64.77 147.97 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.355 1.062 . . . . 3.19 111.896 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -87.95 -33.72 18.34 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.236 0.458 . . . . 1.24 112.236 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -100.35 36.89 1.78 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.996 0.369 . . . . 1.36 111.996 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -144.03 142.59 30.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.242 0.217 . . . . 1.36 111.536 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.5 mp -90.39 165.13 14.02 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.177 -0.465 . . . . 0.9 110.255 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.6 t -105.45 159.88 15.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.72 0.408 . . . . 1.1 110.248 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.16 -33.89 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 111.701 0.26 . . . . 0.81 111.701 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.11 -29.94 43.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.204 0.201 . . . . 0.95 111.535 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.75 -43.21 66.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.632 0.373 . . . . 1.61 111.953 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -36.49 73.09 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.273 0.229 . . . . 0.78 111.367 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -60.7 -40.47 92.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.901 0.48 . . . . 0.9 111.179 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.68 -24.85 38.61 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.524 0.33 . . . . 0.69 111.292 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.39 -46.07 71.02 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.495 0.318 . . . . 0.88 110.766 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.29 -27.24 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 122.386 0.274 . . . . 0.62 111.32 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -100.93 33.13 2.92 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 112.218 0.451 . . . . 0.83 112.218 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -159.8 -60.82 0.07 Allowed 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.772 -0.58 . . . . 1.3 112.427 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -100.77 -11.57 19.78 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 112.724 0.638 . . . . 0.84 112.724 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.8 tp -135.07 47.78 2.52 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 118.083 0.401 . . . . 0.88 111.613 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -83.15 -37.67 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 122.563 2.175 . . . . 0.52 115.361 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -71.41 -34.2 70.13 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.297 0.48 . . . . 0.95 112.297 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.49 -59.38 4.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.282 0.233 . . . . 1.22 110.882 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -88.0 99.6 12.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 116.348 -0.387 . . . . 0.84 110.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -53.42 -34.9 59.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.192 0.597 . . . . 1.78 112.356 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.11 82.03 5.05 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.156 0.582 . . . . 1.94 110.412 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 m -86.13 -23.18 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.693 0.627 . . . . 0.7 112.693 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.67 -44.19 4.95 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.917 -0.379 . . . . 0.67 113.676 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 70.34 6.86 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 117.097 0.449 . . . . 1.26 111.672 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.81 -16.9 60.69 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 119.538 -0.267 . . . . 1.59 110.93 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -50.67 -33.16 21.49 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.777 0.658 . . . . 0.73 112.777 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.36 -42.04 94.96 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 117.631 0.196 . . . . 1.1 110.732 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 38.83 2.44 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.012 0.525 . . . . 1.93 110.487 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttt -113.08 -52.91 2.75 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.26 0.624 . . . . 1.04 109.846 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -70.38 -26.93 63.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.706 0.403 . . . . 3.0 110.711 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -71.59 -34.8 70.21 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 123.123 0.569 . . . . 1.0 110.952 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 65.7 mt -75.56 -66.15 0.81 Allowed 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.978 -0.378 . . . . 0.97 109.978 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -81.59 82.86 7.21 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 109.346 -0.613 . . . . 1.32 109.346 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.3 -29.96 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 115.493 -0.776 . . . . 0.83 112.175 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -73.6 -13.26 60.98 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.304 0.483 . . . . 1.65 112.304 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 66.29 75.63 0.33 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.701 0.801 . . . . 2.44 112.226 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.56 10.23 0.64 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 112.423 0.527 . . . . 1.3 112.423 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 57.08 31.46 20.0 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 113.003 0.742 . . . . 1.67 113.003 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -134.53 137.62 43.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.656 0.383 . . . . 2.4 110.962 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.06 66.66 0.76 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.192 -0.458 . . . . 1.43 110.221 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -61.71 161.01 10.66 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.67 -0.863 . . . . 2.2 108.67 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -22.89 64.81 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.294 0.952 . . . . 1.47 113.38 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.85 -33.19 60.01 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.345 0.521 . . . . 1.32 109.634 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.5 -39.03 16.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.142 0.577 . . . . 0.93 110.235 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -68.05 -18.53 64.71 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.076 . . . . 0.75 110.439 177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -41.96 -37.74 1.41 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.792 1.637 . . . . 1.87 113.579 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -67.38 -30.95 70.87 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.508 0.558 . . . . 2.72 112.508 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 tp -77.07 -29.77 55.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.166 0.439 . . . . 0.62 110.538 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -62.01 -40.73 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.15 0.58 . . . . 1.18 110.23 178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.49 -32.55 71.53 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 111.821 -0.512 . . . . 0.44 111.821 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.6 -7.42 59.51 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.943 0.497 . . . . 0.91 111.694 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -51.85 8.85 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 122.952 0.501 . . . . 0.89 110.854 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.43 40.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.759 0.651 . . . . 1.12 112.759 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -67.83 -40.21 83.78 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 117.982 0.356 . . . . 1.54 110.77 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -75.32 -20.89 58.82 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.518 0.562 . . . . 1.68 112.518 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.95 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.523 0.601 . . . . 0.92 111.468 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 4.11 15.21 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.183 0.808 . . . . 2.09 113.183 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -168.33 67.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.787 0.721 . . . . 1.96 112.429 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -84.57 -38.08 20.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.48 -0.327 . . . . 2.66 110.286 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -136.07 80.39 1.82 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.45 -0.944 . . . . 1.65 108.45 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -85.42 59.29 5.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.24 0.543 . . . . 1.72 112.073 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 tp -171.89 -49.62 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.701 -0.681 . . . . 1.56 110.065 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -76.98 -45.76 26.3 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.515 0.326 . . . . 1.86 110.506 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pp -133.63 108.1 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 122.905 0.482 . . . . 1.25 110.319 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -113.66 37.23 3.31 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.004 0.372 . . . . 2.97 112.004 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.37 90.13 0.27 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.399 0.518 . . . . 2.3 112.399 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 2.1 110.098 178.237 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.427 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.484 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.291 0.567 . . . . 3.15 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.46 131.32 17.07 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.628 -0.715 . . . . 1.19 110.813 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.7 113.16 24.7 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.153 0.283 . . . . 1.01 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -117.24 135.7 23.21 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.613 0.365 . . . . 1.02 110.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.39 131.63 15.3 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.73 2.287 . . . . 0.95 113.7 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -123.93 -61.82 1.34 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.191 0.596 . . . . 1.29 110.147 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -115.98 159.41 21.66 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.922 -0.769 . . . . 1.34 108.922 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.83 -38.25 72.37 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.258 0.466 . . . . 1.42 112.258 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.0 mt -71.55 -37.24 71.12 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.644 0.202 . . . . 0.77 111.118 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.71 -29.9 63.75 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.825 -0.435 . . . . 1.03 109.825 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.16 -32.62 73.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 123.802 0.841 . . . . 0.81 111.474 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -57.2 -55.46 34.47 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.167 0.432 . . . . 1.04 112.167 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.51 -26.02 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 111.801 0.297 . . . . 1.07 111.801 178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.38 -42.08 88.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.992 0.517 . . . . 1.0 111.258 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.5 m -63.09 -27.1 69.16 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.615 0.598 . . . . 1.16 112.615 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 t -69.12 -32.71 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 122.357 0.263 . . . . 0.64 111.11 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.1 t -84.95 -47.89 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.626 0.37 . . . . 0.95 111.098 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -62.43 -41.63 98.85 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.735 1.013 . . . . 0.93 113.735 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.11 -43.05 79.31 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.382 0.512 . . . . 0.76 112.382 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -107.91 46.47 0.95 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.772 0.32 . . . . 1.1 111.529 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -92.6 -48.37 6.64 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.581 -0.281 . . . . 3.79 110.95 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -33.16 64.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.992 0.367 . . . . 1.74 111.992 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -79.27 -36.91 39.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 122.554 0.342 . . . . 1.82 110.985 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.44 69.61 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.251 0.834 . . . . 1.0 113.251 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -83.75 1.45 42.75 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.86 0.689 . . . . 1.8 112.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -73.99 -43.5 57.86 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.151 0.432 . . . . 2.01 111.929 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -137.96 123.52 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.835 0.309 . . . . 1.59 111.835 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.37 106.22 0.04 OUTLIER Glycine 0 C--N 1.351 1.413 0 CA-C-O 119.737 -0.479 . . . . 1.2 114.045 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 50.34 -175.77 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.643 0.979 . . . . 3.16 113.643 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -99.89 -42.48 6.78 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.991 0.516 . . . . 1.46 112.021 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.71 47.18 0.89 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.023 0.439 . . . . 1.43 111.553 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 p -147.96 123.4 10.35 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 116.047 -0.524 . . . . 1.33 110.08 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.88 170.13 17.05 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.501 -0.318 . . . . 0.88 110.769 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -105.12 158.38 16.61 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.844 -0.428 . . . . 0.99 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -30.02 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.578 0.585 . . . . 0.73 112.578 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -91.69 -33.72 14.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.534 0.334 . . . . 0.92 111.806 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.77 -35.13 69.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.671 0.619 . . . . 1.54 112.671 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -37.88 70.16 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.223 0.465 . . . . 0.79 110.183 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -58.96 -33.87 71.14 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.488 0.715 . . . . 0.97 111.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.91 -37.17 70.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.583 0.353 . . . . 0.73 111.499 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.11 -32.28 73.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.973 0.509 . . . . 0.84 112.079 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.5 -34.04 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 122.558 0.343 . . . . 0.61 110.781 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 34.13 3.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.665 0.386 . . . . 0.8 111.633 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -147.49 -56.44 0.24 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.162 0.43 . . . . 1.41 112.162 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -120.51 -2.57 9.96 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.302 0.853 . . . . 0.97 113.302 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.07 42.24 0.59 Allowed Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 118.351 0.523 . . . . 0.85 112.213 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -80.11 -38.91 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.078 1.852 . . . . 0.52 114.092 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -67.06 -33.41 75.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.016 0.376 . . . . 0.98 112.016 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.39 -53.44 29.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.369 0.268 . . . . 1.12 110.555 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.5 mt -101.31 93.99 5.7 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.936 -0.764 . . . . 0.94 108.936 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.3 -36.91 69.2 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.577 0.954 . . . . 1.91 113.577 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -87.86 73.51 9.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.985 0.422 . . . . 2.08 110.517 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -77.63 -32.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.861 -0.609 . . . . 0.75 112.084 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.78 19.72 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-O 119.988 -0.34 . . . . 0.83 113.856 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -97.24 74.67 2.53 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.167 0.508 . . . . 1.26 110.944 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -8.15 52.97 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.764 -0.653 . . . . 1.59 111.005 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.35 -33.84 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.099 0.777 . . . . 0.77 113.099 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.56 -46.63 88.35 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 117.83 0.286 . . . . 1.09 111.013 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.58 -18.5 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.103 0.409 . . . . 1.92 112.103 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.9 ttp -69.18 -41.3 77.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.544 0.338 . . . . 1.09 111.278 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -59.14 -33.62 71.1 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 122.953 0.158 . . . . 3.13 111.124 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 m -70.05 -37.94 75.68 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 110.289 -0.263 . . . . 1.0 110.289 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.89 -49.23 66.26 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 110.272 -0.27 . . . . 0.96 110.272 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.43 63.68 2.15 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.368 -0.605 . . . . 1.39 109.368 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.84 -22.25 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.019 0 CA-C-N 116.062 -0.517 . . . . 0.82 112.367 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -85.61 -15.1 43.62 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.97 0.359 . . . . 1.74 111.97 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 60.89 73.75 0.47 Allowed 'General case' 0 C--N 1.361 1.078 0 C-N-CA 123.822 0.849 . . . . 2.45 111.831 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -149.12 15.96 0.93 Allowed 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 115.86 -0.609 . . . . 1.41 112.39 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 m 55.69 25.74 8.56 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 113.12 0.785 . . . . 1.61 113.12 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -123.35 152.45 41.48 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.711 0.404 . . . . 2.42 110.723 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -128.87 55.17 1.74 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.901 -0.59 . . . . 1.23 110.889 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -58.8 159.01 7.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.312 0.645 . . . . 2.35 110.717 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -28.05 66.53 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.524 0.602 . . . . 1.43 112.415 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.55 -24.79 62.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.512 0.325 . . . . 1.24 110.537 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.63 -32.32 10.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.708 0.803 . . . . 1.03 110.778 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -76.92 -15.2 59.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.789 0.836 . . . . 0.79 111.31 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -22.89 42.26 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.606 0.762 . . . . 1.98 112.033 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -64.02 -33.81 76.58 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.433 0.293 . . . . 2.48 110.95 177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 tp -86.82 -36.07 18.72 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 119.504 -0.284 . . . . 0.59 110.74 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.2 -38.76 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 122.445 0.298 . . . . 0.91 110.257 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.28 -41.07 94.86 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 111.125 -0.79 . . . . 0.49 111.125 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.6 -26.07 64.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.652 0.381 . . . . 0.86 110.795 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.83 -48.43 76.83 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.591 -0.522 . . . . 0.95 109.591 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.0 -12.53 57.19 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.124 0.569 . . . . 1.12 112.522 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.632 0.373 . . . . 1.46 110.829 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -74.73 -11.24 60.12 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.411 0.523 . . . . 1.65 112.411 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -31.3 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 122.507 0.323 . . . . 0.93 111.427 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -39.83 3.15 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.316 0.858 . . . . 2.16 113.316 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -111.77 40.24 2.18 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.237 1.199 . . . . 1.87 114.237 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -68.1 -39.35 82.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.718 -0.475 . . . . 2.47 109.718 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -140.34 57.87 1.58 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.356 -0.979 . . . . 1.83 108.356 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.8 -25.24 68.14 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 113.263 0.838 . . . . 1.81 113.263 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -80.12 -36.23 35.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 111.801 0.297 . . . . 1.45 111.801 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -80.49 -45.99 16.6 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.838 0.455 . . . . 2.03 111.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 pt -125.24 154.37 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.22 0.608 . . . . 1.24 110.957 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -146.57 26.12 1.17 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 112.846 0.684 . . . . 2.8 112.846 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -169.73 93.04 0.24 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.488 0.315 . . . . 2.08 111.481 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.992 0.425 . . . . 1.94 110.407 179.164 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 121.306 0.574 . . . . 2.04 110.343 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 155.46 39.25 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.597 -0.729 . . . . 0.9 111.592 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.32 103.83 13.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.765 0.426 . . . . 1.0 111.336 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.63 137.16 21.61 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 122.688 0.395 . . . . 1.1 111.338 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.14 129.93 20.39 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.658 2.238 . . . . 1.08 112.85 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.77 -107.39 0.33 Allowed 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 118.966 -0.54 . . . . 1.32 110.345 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.6 p -93.32 -177.41 4.43 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 118.95 0.795 . . . . 1.51 110.357 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.24 -50.89 68.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.621 0.6 . . . . 1.51 112.621 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 111.742 0.275 . . . . 0.84 111.742 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.45 -34.12 72.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.575 0.35 . . . . 0.95 111.287 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -70.57 -26.7 63.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 122.317 0.247 . . . . 0.85 111.038 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -54.47 -59.83 4.16 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.695 0.398 . . . . 1.04 111.911 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.92 -30.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 123.021 0.201 . . . . 1.1 111.399 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -65.98 -34.11 77.35 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.161 0.584 . . . . 1.0 111.346 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 40.7 m -68.78 -29.47 67.85 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.372 0.269 . . . . 1.34 111.308 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.79 -33.75 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 110.072 -0.344 . . . . 0.78 110.072 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 41.0 t -74.64 -56.74 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 122.709 0.404 . . . . 0.97 110.196 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -52.66 -33.73 48.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.213 1.19 . . . . 0.88 114.213 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -77.53 -37.66 50.42 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.232 0.827 . . . . 0.75 113.232 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -122.94 27.05 7.86 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.998 1.11 . . . . 1.21 113.998 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -86.25 -31.45 21.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.644 -0.502 . . . . 3.66 109.644 177.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.0 m -58.64 -41.11 85.25 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 122.648 0.379 . . . . 1.51 110.3 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.9 -32.5 57.47 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.283 0.364 . . . . 1.82 110.25 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.37 73.8 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 122.925 0.49 . . . . 0.91 112.198 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -94.63 27.97 2.83 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.271 0.228 . . . . 2.05 111.541 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -91.12 -43.04 10.13 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.067 0.547 . . . . 1.91 110.085 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -101.07 -166.19 1.28 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.088 -0.708 . . . . 1.45 109.088 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.64 150.45 26.77 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 118.257 0.48 . . . . 1.1 113.265 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 64.77 134.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 3.19 111.647 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -78.11 -47.32 18.48 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.239 0.459 . . . . 1.24 112.239 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.8 60.71 2.97 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.831 0.348 . . . . 1.36 110.53 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -158.68 139.09 12.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.672 0.619 . . . . 1.36 112.672 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.0 125.1 41.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.365 -0.976 . . . . 0.9 108.365 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -68.01 166.42 15.89 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 111.953 0.353 . . . . 1.1 111.953 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -55.95 -37.25 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 112.77 0.656 . . . . 0.81 112.77 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -106.15 50.4 0.78 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.035 0.445 . . . . 0.95 110.537 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.42 -49.51 0.54 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.905 0.482 . . . . 1.61 110.814 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -68.16 -33.45 74.49 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.193 -0.299 . . . . 0.78 110.193 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -66.24 -38.8 88.74 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 122.541 0.337 . . . . 0.9 110.32 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.6 -35.28 75.17 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 110.035 -0.357 . . . . 0.69 110.035 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.8 tp -65.08 -42.46 94.07 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.744 0.418 . . . . 0.88 110.554 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 79.9 t -73.06 -25.18 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 O-C-N 123.331 0.394 . . . . 0.62 111.646 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -112.15 40.45 2.19 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 112.288 0.477 . . . . 0.83 112.288 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -160.32 -65.53 0.07 Allowed 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.948 -0.47 . . . . 1.3 111.35 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -106.59 -5.11 18.93 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.063 0.394 . . . . 0.84 112.063 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -135.39 42.64 0.78 Allowed Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 112.031 0.382 . . . . 0.88 112.031 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.42 -34.23 0.82 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 C-N-CA 122.589 2.193 . . . . 0.52 114.452 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.43 -13.88 60.42 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.868 0.692 . . . . 0.95 112.868 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.0 -59.09 2.92 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.904 0.32 . . . . 1.22 110.788 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.41 112.15 23.99 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.597 -0.89 . . . . 0.84 108.597 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -54.82 -35.88 64.39 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.986 0.735 . . . . 1.78 112.986 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.26 86.79 6.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.589 0.356 . . . . 1.94 110.158 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.95 -22.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.63 0.604 . . . . 0.7 112.63 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.0 -66.65 1.44 Allowed Glycine 0 C--N 1.351 1.406 0 CA-C-O 119.808 -0.44 . . . . 0.67 113.073 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -78.27 88.13 4.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.166 0.483 . . . . 1.26 111.212 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -98.24 -1.17 42.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.223 0.609 . . . . 1.59 111.899 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.34 -26.48 65.63 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.635 0.605 . . . . 0.73 112.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.96 -33.45 74.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.732 0.413 . . . . 1.1 110.613 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.26 -30.68 12.84 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.245 0.618 . . . . 1.93 110.826 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.5 ttp -52.6 -46.32 66.92 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.563 0.579 . . . . 1.04 112.563 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -66.31 -36.26 82.49 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 117.636 0.198 . . . . 3.0 111.163 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -69.43 -34.89 75.1 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.728 0.411 . . . . 1.0 110.683 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 19.6 mt -71.58 -63.8 1.05 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 122.952 0.501 . . . . 0.97 111.081 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.74 82.23 6.79 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.969 0.414 . . . . 1.32 110.393 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.28 -31.2 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 115.841 -0.618 . . . . 0.83 112.441 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.34 -14.38 59.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.79 0.663 . . . . 1.65 112.79 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 61.58 59.75 1.78 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.664 0.785 . . . . 2.44 111.876 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -121.73 8.86 10.04 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.929 -0.578 . . . . 1.3 111.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t 70.56 -63.86 0.39 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.899 0.88 . . . . 1.67 111.693 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -70.67 120.21 15.95 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.578 0.351 . . . . 2.4 110.197 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tp -80.02 108.13 13.35 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.908 0.483 . . . . 1.43 111.828 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -78.39 167.84 20.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.804 -0.813 . . . . 2.2 108.804 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -29.5 70.16 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.793 0.724 . . . . 1.47 111.777 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.17 -30.92 69.23 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.717 -0.475 . . . . 1.32 109.717 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.15 -36.2 27.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.979 -0.378 . . . . 0.93 109.979 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -72.81 -16.35 61.62 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.454 0.701 . . . . 0.75 111.213 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -52.86 -31.03 37.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.939 1.296 . . . . 1.87 112.82 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.2 mmm-85 -68.1 -31.25 70.73 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.019 0.378 . . . . 2.72 112.019 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.87 -36.74 30.94 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.645 -0.502 . . . . 0.62 109.645 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.31 -36.82 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.018 0.527 . . . . 1.18 110.386 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.55 57.05 Favored Glycine 0 C--N 1.355 1.627 0 N-CA-C 111.749 -0.54 . . . . 0.44 111.749 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.68 -26.37 60.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.901 0.481 . . . . 0.91 111.565 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mp -57.34 -50.68 72.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.188 0.595 . . . . 0.89 111.291 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.7 40.24 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.268 0.47 . . . . 1.12 112.268 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -78.87 -31.49 45.58 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.903 0.481 . . . . 1.54 111.726 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.81 -5.15 39.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.025 0.75 . . . . 1.68 113.025 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.1 -45.46 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 118.571 0.623 . . . . 0.92 110.363 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.06 -42.01 33.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.46 0.304 . . . . 2.09 111.711 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -145.18 84.89 1.72 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.486 0.55 . . . . 1.96 112.486 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -38.81 65.0 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.982 -0.377 . . . . 2.66 109.982 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -121.99 78.79 1.51 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.248 -1.019 . . . . 1.65 108.248 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -75.92 68.15 2.39 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.431 0.634 . . . . 1.72 112.029 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -175.28 -46.53 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.326 -0.852 . . . . 1.56 110.467 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.94 -54.91 4.21 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.412 0.685 . . . . 1.86 111.5 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.27 137.57 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.69 0.396 . . . . 1.25 111.351 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -159.89 62.65 0.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 112.343 0.498 . . . . 2.97 112.343 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -171.01 47.73 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.975 0.51 . . . . 2.3 111.7 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.9 tttp . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.163 -0.922 . . . . 2.1 110.884 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.46 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.401 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 113.074 0.768 . . . . 3.15 113.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.62 152.39 30.42 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.976 0.353 . . . . 1.19 111.098 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.83 22.28 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.512 0.325 . . . . 1.01 111.266 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -99.95 139.59 20.89 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 122.96 0.504 . . . . 1.02 110.569 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.27 137.3 79.85 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 122.809 2.339 . . . . 0.95 114.063 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -137.68 -149.14 0.29 Allowed 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 123.387 0.675 . . . . 1.29 110.82 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -59.33 162.58 4.57 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 119.069 0.85 . . . . 1.34 111.546 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -44.24 -52.01 7.81 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.535 0.939 . . . . 1.42 113.535 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.48 -36.45 71.15 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 117.907 0.321 . . . . 0.77 111.823 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.24 -31.75 66.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.401 0.28 . . . . 1.03 111.234 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -78.8 -22.1 46.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.205 0.602 . . . . 0.81 111.752 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -61.4 -54.03 48.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.093 0.406 . . . . 1.04 110.347 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -70.18 -21.69 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 111.713 0.264 . . . . 1.07 111.713 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -75.03 -39.12 61.24 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.047 0.539 . . . . 1.0 111.302 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -63.87 -33.61 76.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.635 0.374 . . . . 1.16 111.384 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.56 -33.68 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 122.637 0.375 . . . . 0.64 110.142 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.6 t -74.49 -59.42 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.011 0.524 . . . . 0.95 110.565 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.6 p -51.18 -40.14 57.97 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.574 1.324 . . . . 0.93 114.574 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -72.14 -56.87 4.83 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.189 0.811 . . . . 0.76 113.189 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.08 -20.8 47.9 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.919 1.081 . . . . 1.1 113.919 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.03 -21.62 62.25 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 119.016 0.825 . . . . 3.79 112.417 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -68.37 -33.51 74.4 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.184 0.447 . . . . 1.74 110.574 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.63 -35.34 11.09 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.294 0.637 . . . . 1.82 111.356 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.61 53.81 1.92 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.867 0.467 . . . . 1.0 112.143 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -134.18 17.03 3.76 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.73 0.412 . . . . 1.8 111.677 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -112.47 -45.81 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.582 0.353 . . . . 2.01 111.412 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -90.82 97.78 11.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.592 0.357 . . . . 1.59 111.8 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.26 81.62 0.66 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 114.337 0.495 . . . . 1.2 114.337 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 58.31 173.8 0.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.929 0.892 . . . . 3.16 113.229 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -92.52 -43.49 9.13 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.072 0.549 . . . . 1.46 111.106 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.14 -30.91 70.15 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.37 0.419 . . . . 1.43 111.883 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -90.93 150.26 21.57 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 120.742 0.306 . . . . 1.33 111.476 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.1 168.84 10.21 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.882 -0.599 . . . . 0.88 110.575 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -95.44 166.67 11.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.643 0.377 . . . . 0.99 111.749 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.5 -37.24 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 116.287 -0.415 . . . . 0.73 111.244 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.41 -43.68 31.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.723 0.268 . . . . 0.92 111.723 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.32 -28.87 70.3 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.417 0.287 . . . . 1.54 111.626 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -66.95 -37.42 84.25 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 122.508 0.323 . . . . 0.79 110.288 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.33 -36.0 81.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.867 0.467 . . . . 0.97 111.156 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.18 -30.34 38.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.466 0.306 . . . . 0.73 111.494 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.72 -46.15 86.7 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.59 0.356 . . . . 0.84 110.823 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.42 -26.96 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 122.652 0.381 . . . . 0.61 111.656 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -102.79 32.6 3.58 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 112.223 0.453 . . . . 0.8 112.223 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -160.61 -63.71 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.738 -0.601 . . . . 1.41 112.36 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -100.07 -3.51 31.8 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.115 0.783 . . . . 0.97 113.115 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tt -142.07 57.35 6.59 Favored Pre-proline 0 CA--C 1.561 1.399 0 CA-C-N 118.014 0.37 . . . . 0.85 110.171 179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -92.23 -63.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.845 2.364 . . . . 0.52 115.184 -178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -49.71 -33.16 15.17 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.962 1.097 . . . . 0.98 113.962 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -68.39 -54.23 18.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.299 0.24 . . . . 1.12 110.912 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.95 103.73 15.6 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.585 -0.894 . . . . 0.94 108.585 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -50.13 -37.19 33.15 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.335 1.235 . . . . 1.91 114.335 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -95.88 96.96 9.28 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 122.394 0.277 . . . . 2.08 111.64 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.73 -1.13 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 111.753 0.279 . . . . 0.75 111.753 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.89 -33.41 1.39 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 119.597 -0.557 . . . . 0.83 112.418 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.5 t -87.06 74.27 9.7 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 117.316 0.558 . . . . 1.26 110.782 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.78 49.16 0.81 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.774 0.43 . . . . 1.59 110.288 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.33 -43.11 4.19 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.383 -0.371 . . . . 0.77 111.232 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -72.34 -28.18 62.88 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.39 0.515 . . . . 1.09 112.39 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -89.79 -39.75 12.91 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.993 0.368 . . . . 1.92 111.993 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.1 ttp -60.26 -39.11 85.62 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.399 0.518 . . . . 1.09 112.399 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -68.38 -40.25 81.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.014 0.126 . . . . 3.13 111.17 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -69.65 -28.8 66.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.654 0.382 . . . . 1.0 111.619 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.1 mt -72.37 -64.68 0.9 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.425 0.29 . . . . 0.96 110.393 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -83.8 73.89 10.25 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.808 0.337 . . . . 1.39 110.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.39 -26.17 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 116.179 -0.464 . . . . 0.82 112.053 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -71.31 -23.38 61.93 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.51 0.324 . . . . 1.74 111.825 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 63.53 71.6 0.49 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 123.719 0.807 . . . . 2.45 111.369 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -144.08 12.15 1.59 Allowed 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.844 -0.616 . . . . 1.41 111.935 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 t 58.04 29.79 18.28 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 123.497 0.719 . . . . 1.61 112.459 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.23 114.41 8.24 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.024 0.53 . . . . 2.42 109.98 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.16 85.46 5.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.678 0.275 . . . . 1.23 111.074 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -68.27 162.39 25.18 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 108.15 -1.056 . . . . 2.35 108.15 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -22.74 65.68 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.558 1.072 . . . . 1.43 112.191 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.84 -32.52 65.54 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 109.674 -0.491 . . . . 1.24 109.674 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -87.25 -42.01 13.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.592 0.757 . . . . 1.03 110.224 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -62.44 -20.73 64.81 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.968 0.907 . . . . 0.79 110.967 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -39.79 -37.93 0.6 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.92 1.688 . . . . 1.98 113.64 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -61.36 -23.85 66.06 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.402 0.89 . . . . 2.48 113.402 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -90.41 -34.87 15.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.29 0.496 . . . . 0.59 111.291 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.62 -37.12 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 110.002 -0.37 . . . . 0.91 110.002 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.74 -34.44 77.95 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 111.713 -0.555 . . . . 0.49 111.713 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.31 -21.32 46.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.733 0.413 . . . . 0.86 111.086 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -52.02 66.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.197 0.599 . . . . 0.95 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.04 -22.7 52.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.069 0.396 . . . . 1.12 112.069 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.82 -44.68 55.02 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.946 -0.39 . . . . 1.46 109.946 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.64 -17.52 61.66 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 112.395 0.517 . . . . 1.65 112.395 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.73 -32.65 58.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-N 118.184 0.447 . . . . 0.93 111.525 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -113.07 -37.84 4.66 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.827 0.677 . . . . 2.16 112.827 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -122.69 72.74 1.09 Allowed 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.735 0.302 . . . . 1.87 111.788 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -91.17 -42.6 10.35 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.859 -0.423 . . . . 2.47 109.859 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -127.62 61.31 1.41 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.535 0.734 . . . . 1.83 109.239 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.37 73.49 3.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.093 0.473 . . . . 1.81 111.387 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 tp -166.67 -54.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.912 -0.585 . . . . 1.45 110.888 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -95.86 -37.06 10.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.975 0.51 . . . . 2.03 111.427 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.95 143.14 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.549 0.339 . . . . 1.24 111.67 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -152.22 51.48 0.78 Allowed 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.009 0.433 . . . . 2.8 111.43 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -159.31 84.48 0.78 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.222 -0.444 . . . . 2.08 111.234 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 tttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 116.411 -0.359 . . . . 1.94 110.096 179.515 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 112.002 0.371 . . . . 2.04 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.76 149.48 22.28 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 122.801 0.441 . . . . 0.9 111.138 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.47 122.37 33.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.639 -0.255 . . . . 1.0 111.025 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -116.76 132.98 23.11 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 119.318 -0.373 . . . . 1.1 110.436 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.68 141.51 95.26 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.02 2.48 . . . . 1.08 113.496 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 mt -133.7 -97.81 0.27 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 119.243 -0.408 . . . . 1.32 111.277 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 m -95.79 162.68 13.49 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.445 0.566 . . . . 1.51 109.652 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.98 -42.19 62.75 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.925 0.713 . . . . 1.51 112.925 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.08 -40.27 46.71 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.694 0.225 . . . . 0.84 111.267 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.45 -26.26 62.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.311 0.244 . . . . 0.95 111.145 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.67 -24.6 49.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.233 0.613 . . . . 0.85 111.827 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -56.5 -57.16 13.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.555 0.342 . . . . 1.04 110.844 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -71.94 -21.34 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.03 0.207 . . . . 1.1 111.447 178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -68.36 -41.63 80.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.225 0.61 . . . . 1.0 110.553 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -66.49 -33.3 75.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.28 0.363 . . . . 1.34 110.993 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.08 -32.94 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 122.85 0.46 . . . . 0.78 110.554 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.73 -60.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 122.84 0.456 . . . . 0.97 110.728 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -55.5 -34.41 64.59 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.859 1.059 . . . . 0.88 113.859 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -66.71 -46.41 75.62 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.018 0.377 . . . . 0.75 112.018 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.31 30.48 6.89 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.167 0.803 . . . . 1.21 113.167 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -82.28 -35.05 28.42 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.936 -0.477 . . . . 3.66 110.289 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -67.17 -34.24 77.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.419 0.688 . . . . 1.51 111.449 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -83.74 -33.32 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.602 0.361 . . . . 1.82 111.106 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.3 65.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.47 0.544 . . . . 0.91 112.47 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -78.35 -13.42 59.85 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.114 0.783 . . . . 2.05 113.114 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.89 -35.92 82.7 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 117.846 0.294 . . . . 1.91 111.789 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -106.5 -177.75 3.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.846 0.459 . . . . 1.45 110.881 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.44 125.75 0.94 Allowed Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.738 1.055 . . . . 1.1 115.738 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 64.87 140.41 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.25 1.02 . . . . 3.19 112.511 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -73.2 -42.83 62.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 116.078 -0.51 . . . . 1.24 111.531 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.18 50.85 1.42 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.045 0.45 . . . . 1.36 110.471 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.4 t -159.12 131.04 6.47 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 116.319 -0.401 . . . . 1.36 111.488 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.36 168.46 15.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.0 0.52 . . . . 0.9 110.875 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -102.04 166.24 10.73 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.558 0.343 . . . . 1.1 111.042 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.3 -24.21 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 112.445 0.535 . . . . 0.81 112.445 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -98.51 -32.8 11.28 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.686 0.395 . . . . 0.95 111.926 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.4 -31.55 60.47 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.992 0.738 . . . . 1.61 112.992 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -70.26 -35.51 73.83 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.251 0.478 . . . . 0.78 110.405 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -64.29 -37.16 86.52 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.234 0.614 . . . . 0.9 111.242 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.11 -31.91 72.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.775 0.43 . . . . 0.69 111.008 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -71.32 -32.65 68.84 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.81 0.444 . . . . 0.88 111.85 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 51.5 t -77.73 -28.16 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 119.465 -0.303 . . . . 0.62 111.474 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -99.03 2.81 46.57 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 113.023 0.749 . . . . 0.83 113.023 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -129.42 -59.04 1.1 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 112.685 0.624 . . . . 1.3 112.685 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.36 -8.65 21.87 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.847 1.054 . . . . 0.84 113.847 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -139.14 43.54 0.67 Allowed Pre-proline 0 CA--C 1.566 1.589 0 CA-C-N 118.374 0.534 . . . . 0.88 112.204 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -84.46 -32.35 0.38 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.368 2.045 . . . . 0.52 114.674 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -68.04 -33.28 74.29 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 111.991 0.367 . . . . 0.95 111.991 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 28.1 tp -69.83 -62.31 1.43 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.284 0.234 . . . . 1.22 111.385 -179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 67.3 mt -85.6 110.08 19.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 110.113 -0.329 . . . . 0.84 110.113 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.28 -36.52 53.1 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.227 0.825 . . . . 1.78 113.227 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.77 101.65 13.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.479 0.312 . . . . 1.94 110.771 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.96 -27.58 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 112.272 0.471 . . . . 0.7 112.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.75 -57.37 1.95 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-O 120.024 -0.32 . . . . 0.67 113.081 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -83.97 91.22 7.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.568 0.347 . . . . 1.26 111.188 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.02 8.14 36.59 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.281 -0.418 . . . . 1.59 111.435 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.08 -27.55 68.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.404 . . . . 0.73 111.691 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.3 -33.53 75.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.676 0.39 . . . . 1.1 110.764 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -98.29 -38.89 9.09 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 122.968 0.507 . . . . 1.93 111.762 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -57.78 -42.22 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 112.969 0.729 . . . . 1.04 112.969 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -62.44 -36.67 83.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.122 0.169 . . . . 3.0 111.4 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -81.58 -32.89 31.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.307 0.379 . . . . 1.0 111.006 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.91 -55.75 26.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.116 0.566 . . . . 0.97 111.485 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.85 71.83 9.45 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.262 -0.644 . . . . 1.32 109.262 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.98 -16.52 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 CA-C-N 115.603 -0.726 . . . . 0.83 112.706 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -92.85 -7.78 45.33 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 112.571 0.582 . . . . 1.65 112.571 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.65 38.1 27.59 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.318 0.647 . . . . 2.44 111.558 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.92 -2.88 13.47 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.5 t 64.85 23.29 12.63 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.356 0.662 . . . . 1.67 112.004 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -126.18 116.02 20.67 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.118 0.567 . . . . 2.4 109.508 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.76 70.03 3.44 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.998 0.428 . . . . 1.43 111.921 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -65.29 161.22 19.96 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 107.942 -1.132 . . . . 2.2 107.942 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -55.05 -24.05 22.98 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 119.528 1.058 . . . . 1.47 113.105 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -74.66 -41.99 59.31 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 109.818 -0.438 . . . . 1.32 109.818 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.06 -33.37 50.9 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.294 0.638 . . . . 0.93 110.265 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -75.68 -11.09 59.93 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.047 0.939 . . . . 0.75 111.626 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -47.15 -37.24 9.63 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.986 1.314 . . . . 1.87 113.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -58.88 -42.36 89.32 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.307 0.854 . . . . 2.72 113.307 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 15.6 tp -78.39 -23.92 46.56 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 111.961 0.356 . . . . 0.62 111.961 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.29 -38.88 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.546 0.338 . . . . 1.18 111.104 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.83 91.92 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 112.028 -0.429 . . . . 0.44 112.028 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.73 -26.08 62.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.065 0.546 . . . . 0.91 110.988 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -52.89 63.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.041 0.536 . . . . 0.89 111.024 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.15 -16.31 47.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.382 0.882 . . . . 1.12 113.382 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -80.44 -40.07 26.99 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.998 0.363 . . . . 1.54 111.35 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.27 -18.02 55.87 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.491 0.923 . . . . 1.68 113.491 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 118.416 0.553 . . . . 0.92 111.912 -179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 17.6 ptt-85 -93.11 -35.51 13.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.606 0.224 . . . . 2.09 111.606 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -149.81 92.17 1.88 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 111.971 0.36 . . . . 1.96 111.971 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -34.59 25.75 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.894 -0.41 . . . . 2.66 109.894 177.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -126.7 84.61 2.28 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.57 -0.9 . . . . 1.65 108.57 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.67 64.73 4.63 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.466 0.65 . . . . 1.72 112.005 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -174.29 -49.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.188 -0.914 . . . . 1.56 109.975 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.5 -50.25 11.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.301 0.64 . . . . 1.86 110.764 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.3 pt -116.97 138.74 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.179 0.591 . . . . 1.25 110.367 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -137.24 26.15 2.92 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.641 0.608 . . . . 2.97 112.641 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.25 97.16 0.6 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.427 0.291 . . . . 2.3 111.322 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.939 -1.029 . . . . 2.1 110.69 179.578 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ANW . . . . . 0.438 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ANW . . . . . 0.441 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 112.23 0.456 . . . . 2.71 112.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.53 124.42 19.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.853 0.461 . . . . 1.02 110.408 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.73 116.67 23.37 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.458 -0.337 . . . . 0.7 111.716 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -111.79 141.83 25.5 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.87 0.468 . . . . 1.02 110.825 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.89 136.84 33.66 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 122.802 2.335 . . . . 0.74 113.043 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.0 mt -130.11 -76.2 0.54 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.583 0.353 . . . . 1.19 111.591 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -113.55 166.29 11.66 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.287 0.635 . . . . 0.98 109.839 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.09 -42.01 72.33 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.742 0.645 . . . . 1.42 112.742 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.4 -36.13 60.91 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 111.653 0.242 . . . . 0.65 111.653 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -76.92 -27.35 54.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.671 0.389 . . . . 1.03 110.963 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.15 -34.03 68.2 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.027 0.531 . . . . 0.81 111.026 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -59.7 -52.62 64.73 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.907 0.321 . . . . 0.63 110.942 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.85 -24.06 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 111.647 0.239 . . . . 0.56 111.647 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.55 -35.08 46.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.012 0.525 . . . . 1.0 110.794 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -63.47 -38.84 92.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.688 0.395 . . . . 0.77 111.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.13 -32.3 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.33 0.252 . . . . 0.5 110.969 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -78.81 -52.9 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.447 0.299 . . . . 0.95 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.8 p -65.07 -25.44 67.81 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.657 1.354 . . . . 0.62 114.657 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -80.4 -42.56 22.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.441 0.904 . . . . 0.66 113.441 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CD1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -100.58 -23.02 14.77 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.237 1.199 . . . . 0.95 114.237 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.57 -13.25 61.9 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.185 0.902 . . . . 3.17 113.068 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 m -67.3 -30.0 69.74 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 110.068 -0.345 . . . . 1.37 110.068 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.78 -27.68 13.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.321 0.648 . . . . 1.55 111.158 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.26 66.96 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.144 0.424 . . . . 0.83 112.144 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -65.61 -19.93 66.11 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.147 0.425 . . . . 1.55 112.147 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.01 -44.08 66.99 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.215 0.606 . . . . 1.8 111.87 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.66 -178.66 5.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.44 0.296 . . . . 1.59 110.31 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.33 147.93 12.46 Favored Glycine 0 C--N 1.357 1.71 0 N-CA-C 114.36 0.504 . . . . 0.92 114.36 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 64.94 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.06 0.944 . . . . 2.6 111.809 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -84.92 -40.05 17.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.392 -0.367 . . . . 1.22 111.206 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.51 -15.62 56.27 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 112.638 0.607 . . . . 1.43 112.638 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -90.35 144.4 25.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.482 0.549 . . . . 1.09 112.482 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.22 144.97 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.548 -0.751 . . . . 0.76 109.36 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.9 t -70.01 152.89 43.89 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.071 0.397 . . . . 0.68 112.071 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.33 -24.5 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 N-CA-C 112.597 0.592 . . . . 0.64 112.597 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -96.29 -26.52 15.36 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.152 0.427 . . . . 0.82 112.152 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.83 -33.16 27.22 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.089 0.774 . . . . 1.54 113.089 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -66.18 -33.49 75.89 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.165 0.439 . . . . 0.65 110.843 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -67.31 -35.8 80.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.871 0.468 . . . . 0.87 110.416 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.95 -34.04 64.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.74 0.416 . . . . 0.73 110.624 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 20' ' ' PHE . 16.3 tp -67.85 -40.65 83.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.902 0.481 . . . . 0.65 111.149 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.95 -19.34 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.648 0.379 . . . . 0.45 111.563 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -107.96 13.27 26.31 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 112.055 0.391 . . . . 0.8 112.055 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -138.22 -56.68 0.65 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.064 0.393 . . . . 1.1 111.858 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -98.69 -17.69 18.43 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.809 0.67 . . . . 0.84 112.809 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.45 47.99 3.19 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-N 118.015 0.37 . . . . 0.67 111.327 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -84.41 -34.84 0.22 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 122.567 2.178 . . . . 0.52 115.229 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -70.12 -35.32 74.02 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.882 0.697 . . . . 0.85 112.882 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.05 -69.36 0.3 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.571 0.348 . . . . 0.87 111.534 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.99 100.52 11.11 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.734 -0.469 . . . . 0.73 109.734 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -38.38 56.56 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.701 1.0 . . . . 1.32 113.701 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.23 73.59 10.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.811 0.339 . . . . 2.08 110.55 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.15 -33.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 116.441 -0.345 . . . . 0.71 111.155 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.95 -40.89 6.48 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 119.83 -0.428 . . . . 0.83 112.614 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -88.59 71.05 8.9 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 121.306 0.574 . . . . 0.85 109.769 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 2.49 30.89 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.401 -0.818 . . . . 1.22 110.98 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.48 -30.38 71.51 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.383 0.512 . . . . 0.77 112.383 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.12 -45.06 95.14 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.546 0.338 . . . . 1.09 110.868 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -84.59 -33.35 23.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.357 0.263 . . . . 1.55 111.217 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.3 ttp -54.75 -36.99 65.39 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.769 0.427 . . . . 0.84 111.987 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.46 -40.56 35.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.094 0.246 . . . . 2.56 110.998 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -66.53 -31.86 72.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.791 0.436 . . . . 0.61 111.794 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 79' ' ' LEU . 19.1 mt -65.6 -59.98 3.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.091 0.556 . . . . 0.68 111.351 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.09 80.44 9.18 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.209 0.528 . . . . 1.39 109.9 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.94 -28.68 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 115.658 -0.701 . . . . 0.73 111.933 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -86.82 -27.07 23.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.605 0.362 . . . . 1.44 111.522 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 58.77 84.06 0.11 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 123.694 0.798 . . . . 1.96 111.649 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -117.09 -70.63 0.78 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.02 -0.536 . . . . 1.41 109.779 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 m -164.43 -55.6 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.204 0.602 . . . . 1.31 110.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.37 175.31 5.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.205 0.602 . . . . 2.42 110.772 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.0 99.67 10.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.961 0.504 . . . . 0.95 111.523 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.44 162.7 19.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.487 -0.931 . . . . 1.89 108.487 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.62 -29.14 69.05 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.515 1.052 . . . . 1.2 112.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.94 -28.26 64.36 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 110.115 -0.328 . . . . 0.98 110.115 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.25 -43.31 11.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.357 0.663 . . . . 1.03 110.549 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.64 ' HA ' HD22 ' A' ' 63' ' ' LEU . 41.6 t80 -68.36 -17.53 64.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.707 0.803 . . . . 0.69 112.187 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -53.74 -25.05 16.95 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.259 1.023 . . . . 1.62 113.319 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' HD23 ' A' ' 63' ' ' LEU . 6.8 mmm-85 -66.6 -25.07 66.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.22 0.464 . . . . 1.96 111.698 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.653 ' HB2' HD21 ' A' ' 63' ' ' LEU . 14.0 tp -93.55 -25.89 17.37 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 122.826 0.451 . . . . 0.53 110.295 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.48 -37.71 80.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 122.79 0.436 . . . . 0.61 109.954 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.5 -41.64 57.44 Favored Glycine 0 C--N 1.357 1.717 0 N-CA-C 111.563 -0.615 . . . . 0.47 111.563 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.94 -22.73 65.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.62 0.368 . . . . 0.86 110.676 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -49.21 77.33 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.005 0.522 . . . . 0.67 110.664 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.76 42.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.645 0.609 . . . . 0.55 112.645 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -87.42 -37.38 17.08 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 117.977 0.353 . . . . 0.96 111.226 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -87.18 -7.75 57.62 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.196 0.443 . . . . 1.65 112.196 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.415 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -66.61 -38.72 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 118.094 0.406 . . . . 0.66 111.297 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.33 -30.13 9.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.791 0.663 . . . . 1.74 112.791 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -134.04 65.72 1.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.716 0.636 . . . . 1.52 112.716 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.36 59.2 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.818 -0.438 . . . . 1.87 109.818 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -137.34 70.51 1.4 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.599 0.76 . . . . 1.53 108.957 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.2 72.1 3.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.508 0.67 . . . . 1.81 111.181 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tp -171.04 -48.4 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.218 -0.901 . . . . 1.24 110.416 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -89.93 -54.17 4.16 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.855 0.462 . . . . 1.73 110.604 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.2 pt -113.92 125.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.034 0.534 . . . . 1.06 109.803 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -142.74 40.38 1.54 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.401 0.519 . . . . 2.26 112.401 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -152.74 69.27 0.85 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.959 0.409 . . . . 1.74 111.967 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 tttp . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 122.829 0.452 . . . . 1.71 109.973 179.2 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.165 0.431 . . . . 1.75 112.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.03 161.48 13.7 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.433 0.293 . . . . 0.78 111.501 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.511 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -93.86 125.01 38.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.135 -0.484 . . . . 0.69 111.612 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -120.45 141.5 32.14 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.589 . . . . 1.1 110.038 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.2 141.32 49.22 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 123.038 2.492 . . . . 0.83 114.29 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -136.26 -128.46 0.15 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 119.011 -0.518 . . . . 1.24 110.324 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -80.12 161.97 25.01 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.163 0.892 . . . . 1.06 110.871 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -41.43 -48.69 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.124 1.157 . . . . 1.51 114.124 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.6 -41.21 63.15 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 111.778 0.288 . . . . 0.65 111.778 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.82 -37.34 79.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.954 0.502 . . . . 0.95 111.427 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.38 -32.79 74.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.412 0.685 . . . . 0.85 112.406 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -63.04 -55.23 27.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.946 0.339 . . . . 0.56 110.669 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.59 -18.07 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 111.88 0.326 . . . . 0.53 111.88 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.511 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 7.4 tm-20 -78.53 -40.47 34.99 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.364 0.666 . . . . 1.0 110.74 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -63.59 -34.7 78.39 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.014 0.376 . . . . 0.88 112.014 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.08 -32.12 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.284 0.234 . . . . 0.56 110.979 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.46 -53.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 122.896 0.478 . . . . 0.97 110.759 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -63.29 -28.08 69.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.501 1.297 . . . . 0.67 114.501 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -71.42 -49.37 42.49 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.911 0.708 . . . . 0.69 112.911 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -90.09 -19.64 24.1 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.422 0.897 . . . . 1.02 113.422 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.5 -21.17 66.6 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 118.93 0.786 . . . . 3.08 112.656 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -62.96 -31.12 72.16 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.713 0.405 . . . . 1.37 111.252 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.64 -27.39 13.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.914 0.486 . . . . 1.54 111.804 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.24 61.19 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.517 0.562 . . . . 0.85 112.517 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -59.59 -32.09 70.07 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.922 0.712 . . . . 1.73 112.922 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -58.88 -33.69 70.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.937 0.718 . . . . 1.68 112.937 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -89.98 176.58 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.343 0.257 . . . . 1.45 110.776 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.74 142.58 45.75 Favored Glycine 0 C--N 1.356 1.654 0 N-CA-C 113.958 0.343 . . . . 0.86 113.958 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.45 114.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.001 0.92 . . . . 2.62 112.01 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -62.48 -40.26 96.11 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.421 0.288 . . . . 1.11 111.562 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.15 -27.61 63.67 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 111.804 0.298 . . . . 1.36 111.804 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -83.19 147.22 28.16 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 112.228 0.455 . . . . 1.13 112.228 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.33 151.08 23.87 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.41 -0.814 . . . . 0.79 109.967 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.5 t -74.16 158.78 33.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.526 0.331 . . . . 0.69 111.535 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.46 -19.39 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 112.256 0.465 . . . . 0.71 112.256 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.45 -42.59 6.54 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.611 0.365 . . . . 0.83 111.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.32 -36.99 82.59 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.577 0.584 . . . . 1.61 112.577 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.6 -37.12 84.22 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 117.953 0.342 . . . . 0.66 110.249 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.297 0.639 . . . . 0.81 110.274 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 -28.92 63.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.821 0.448 . . . . 0.69 111.197 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.6 -36.58 84.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.824 0.45 . . . . 0.68 110.667 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.471 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 67.9 t -74.72 -30.09 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 122.621 0.368 . . . . 0.48 111.171 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.35 27.77 4.51 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.447 0.299 . . . . 0.83 111.769 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -154.65 -52.79 0.09 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 112.282 0.475 . . . . 0.98 112.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -112.83 -6.42 13.82 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.584 0.957 . . . . 0.73 113.584 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.9 OUTLIER -137.71 39.11 0.39 Allowed Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 118.449 0.568 . . . . 0.62 112.244 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.38 -33.81 2.32 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.232 1.954 . . . . 0.48 114.309 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -72.11 -30.1 64.73 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.319 0.489 . . . . 0.81 112.319 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.26 -53.49 16.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 117.524 0.147 . . . . 0.88 110.947 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.0 102.72 14.54 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.135 -0.691 . . . . 0.7 109.135 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -34.11 67.8 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.945 0.721 . . . . 1.23 112.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -93.1 83.17 4.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.745 0.418 . . . . 1.94 110.104 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -86.29 -30.99 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 116.179 -0.464 . . . . 0.6 111.97 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.42 -55.84 8.32 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.825 -0.431 . . . . 0.67 113.46 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 43.6 t -88.55 69.11 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.19 0.519 . . . . 0.92 111.035 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 56' ' ' LEU . 1.3 tm? -76.53 -21.19 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.998 -0.546 . . . . 1.24 111.146 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.62 -25.7 53.87 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.655 0.983 . . . . 0.73 113.655 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.26 -38.14 79.36 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 117.754 0.252 . . . . 1.1 111.072 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -94.91 -37.16 11.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.745 0.418 . . . . 1.47 110.572 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 40.9 ttp -49.79 -43.25 48.23 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.527 0.731 . . . . 0.81 112.76 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -67.01 -35.02 79.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.181 0.192 . . . . 2.39 111.199 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -73.47 -25.95 60.7 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.616 0.367 . . . . 0.63 111.615 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' B' ' 79' ' ' LEU . 60.1 mt -74.65 -66.03 0.79 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 122.55 0.34 . . . . 0.69 110.833 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.5 76.43 4.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 109.779 -0.452 . . . . 1.32 109.779 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -81.69 -29.79 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 115.89 -0.595 . . . . 0.72 111.719 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -74.47 -26.96 60.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.805 0.298 . . . . 1.38 111.805 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 67.24 72.22 0.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.804 0.842 . . . . 2.02 111.097 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -140.05 15.09 2.45 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.438 -0.801 . . . . 1.3 111.745 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 57.53 26.1 12.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.331 0.652 . . . . 1.35 112.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -143.09 121.28 12.2 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.361 -0.607 . . . . 2.4 109.361 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -95.33 86.9 4.65 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.281 0.363 . . . . 1.13 110.901 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -66.14 171.41 4.68 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.842 -0.799 . . . . 1.81 108.842 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.61 -23.51 66.84 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.402 1.001 . . . . 1.23 111.677 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -73.69 -32.02 63.72 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.346 -0.613 . . . . 0.99 109.346 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.73 -47.27 13.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 123.254 0.621 . . . . 0.93 109.663 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.477 ' HA ' HD22 ' B' ' 63' ' ' LEU . 33.7 t80 -67.71 -16.84 64.34 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.639 0.775 . . . . 0.71 111.833 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -50.89 -34.58 28.89 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.35 1.06 . . . . 1.54 112.694 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.622 ' HB2' HD23 ' B' ' 63' ' ' LEU . 28.6 mmm-85 -64.45 -32.32 73.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.382 -0.342 . . . . 2.15 111.846 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.659 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.5 tp -81.43 -30.82 33.39 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 119.389 -0.339 . . . . 0.49 110.584 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.07 -38.96 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 109.317 -0.623 . . . . 0.56 109.317 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.71 80.77 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 111.759 -0.537 . . . . 0.42 111.759 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -72.56 -22.89 60.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.622 0.369 . . . . 0.91 111.692 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -52.75 39.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.755 0.422 . . . . 0.69 110.365 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.52 -18.57 58.65 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.295 0.48 . . . . 0.55 112.295 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -84.8 -35.6 22.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.967 0.507 . . . . 1.1 111.452 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -92.85 38.84 1.03 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 111.926 0.343 . . . . 1.68 111.926 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -44.37 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.629 0.371 . . . . 0.63 110.601 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 -36.02 9.41 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.71 0.404 . . . . 1.64 111.842 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -120.5 43.07 2.83 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 111.799 0.296 . . . . 1.65 111.799 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -62.87 -44.18 96.8 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 122.474 -0.141 . . . . 2.03 111.34 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -124.21 72.57 1.18 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.217 -0.66 . . . . 1.36 109.217 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.27 70.44 5.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.478 0.656 . . . . 1.72 110.712 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -167.55 -49.72 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.36 -0.837 . . . . 1.27 110.694 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -99.48 -49.04 4.56 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.092 0.557 . . . . 1.61 111.178 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -120.32 127.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.892 0.477 . . . . 1.04 111.285 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -134.76 35.2 3.13 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.084 0.402 . . . . 2.42 112.084 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -162.85 108.62 1.16 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.753 0.311 . . . . 1.86 111.565 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.293 -0.861 . . . . 1.85 110.079 179.408 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 N-CA-C 112.769 0.655 . . . . 2.71 112.769 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.28 150.06 50.22 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.923 0.489 . . . . 1.02 110.432 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.46 129.45 38.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.367 0.267 . . . . 0.7 111.529 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.49 135.97 14.29 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 122.957 0.503 . . . . 1.02 110.464 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.13 143.15 25.32 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.391 2.061 . . . . 0.74 113.688 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.61 -62.0 0.71 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.908 0.483 . . . . 1.19 110.924 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -111.64 164.87 12.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.677 0.791 . . . . 0.98 110.224 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.89 -43.5 94.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.416 0.525 . . . . 1.42 112.416 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD11 HD11 ' B' ' 41' ' ' LEU . 79.5 mt -72.86 -29.98 63.62 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.623 0.231 . . . . 0.65 111.623 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.78 -40.99 65.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.603 -0.518 . . . . 1.03 109.603 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.33 -27.88 69.62 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.998 0.519 . . . . 0.81 111.741 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -61.79 -42.77 99.43 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.29 0.236 . . . . 0.63 111.367 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -93.61 -17.02 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.179 0.437 . . . . 0.56 112.179 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -81.23 -39.89 24.66 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.119 0.568 . . . . 1.0 111.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.7 m -61.55 -31.86 71.91 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.562 0.345 . . . . 0.77 111.462 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.49 -31.03 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 C-N-CA 122.506 0.322 . . . . 0.5 110.49 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.11 -65.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 123.145 0.578 . . . . 0.95 110.984 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -55.11 -34.01 63.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.62 114.805 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -72.97 -46.84 50.08 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.113 0.783 . . . . 0.66 113.113 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.91 -22.29 17.52 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.031 1.123 . . . . 0.95 114.031 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 2.5 m-85 -58.8 -21.54 56.4 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.279 0.945 . . . . 3.17 112.629 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.4 m -64.49 -35.73 81.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 110.154 -0.313 . . . . 1.37 110.154 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -91.22 -32.64 15.7 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.989 0.516 . . . . 1.55 110.76 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 21' ' ' PHE . . . -72.31 -18.18 61.8 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.435 0.902 . . . . 0.83 113.435 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -86.15 10.3 14.89 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.158 0.799 . . . . 1.55 113.158 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -80.43 -36.8 33.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.707 0.403 . . . . 1.8 112.004 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.78 -175.02 3.16 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.759 0.424 . . . . 1.59 111.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.76 140.55 25.67 Favored Glycine 0 C--N 1.363 2.035 0 N-CA-C 114.37 0.508 . . . . 0.92 114.37 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? 64.76 120.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.259 1.024 . . . . 2.6 110.597 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -71.36 -27.79 63.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 111.911 0.337 . . . . 1.22 111.911 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -98.03 54.73 1.13 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.583 0.353 . . . . 1.43 110.701 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -157.17 152.76 26.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.202 0.445 . . . . 1.09 112.202 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.42 124.04 48.88 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.369 -0.604 . . . . 0.76 109.369 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.2 t -59.79 153.72 19.96 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.204 0.446 . . . . 0.68 112.204 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.91 -28.36 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 112.628 0.603 . . . . 0.64 112.628 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.79 -22.53 18.01 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.469 0.544 . . . . 0.82 112.469 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.97 -30.41 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.601 0.593 . . . . 1.54 112.601 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 -36.87 68.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.781 0.264 . . . . 0.65 111.121 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.53 -40.16 95.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.231 0.612 . . . . 0.87 111.389 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.33 -29.06 63.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.875 0.47 . . . . 0.73 111.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.91 -36.99 83.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.483 0.313 . . . . 0.65 110.708 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.94 -25.41 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 C-N-CA 122.77 0.428 . . . . 0.45 111.08 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -103.55 27.36 7.47 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 112.434 0.531 . . . . 0.8 112.434 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -153.12 -63.37 0.15 Allowed 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.704 -0.623 . . . . 1.1 112.118 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -99.03 -6.96 27.55 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.44 0.533 . . . . 0.84 112.44 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.416 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -140.6 47.47 1.14 Allowed Pre-proline 0 CA--C 1.564 1.487 0 CA-C-N 118.149 0.431 . . . . 0.67 111.801 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 77.2 Cg_endo -86.87 -34.6 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.381 0 C-N-CA 122.404 2.069 . . . . 0.52 115.469 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.44 -19.93 60.22 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.703 0.631 . . . . 0.85 112.703 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -74.13 -56.5 4.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.648 0.379 . . . . 0.87 110.787 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.48 117.93 31.28 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.649 -0.5 . . . . 0.73 109.649 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -63.01 -29.56 70.92 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.378 0.51 . . . . 1.32 112.378 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -97.54 92.97 6.18 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 110.047 -0.353 . . . . 2.08 110.047 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.6 m -97.78 -36.94 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.06 0.392 . . . . 0.71 112.06 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.66 -51.75 6.98 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 119.886 -0.397 . . . . 0.83 112.98 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -87.96 75.84 8.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.038 0.446 . . . . 0.85 110.194 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 0.64 57.24 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.883 -0.599 . . . . 1.22 112.167 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.01 -27.59 67.55 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.096 0.776 . . . . 0.77 113.096 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.79 -43.11 89.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 111.562 0.208 . . . . 1.09 111.562 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.64 -33.02 20.25 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.574 -0.251 . . . . 1.55 110.973 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.7 ttp -58.53 -39.91 81.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.874 0.47 . . . . 0.84 112.181 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -67.59 -35.73 79.53 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 122.923 0.14 . . . . 2.56 111.077 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.4 m -67.79 -35.79 79.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.331 0.252 . . . . 0.61 110.922 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 79' ' ' LEU . 27.7 mt -69.94 -53.89 15.82 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.891 0.477 . . . . 0.68 111.189 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.51 77.83 7.28 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 121.215 0.531 . . . . 1.39 110.37 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 p -91.12 -35.89 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.44 -0.8 . . . . 0.73 111.605 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.46 -19.56 52.85 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 111.889 0.329 . . . . 1.44 111.889 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 66.41 56.97 0.74 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.682 0.793 . . . . 1.96 111.614 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.28 19.07 12.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.037 0.384 . . . . 1.41 112.037 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 t 70.34 -66.71 0.27 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.848 0.859 . . . . 1.31 111.844 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.77 133.75 44.66 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.922 0.328 . . . . 2.42 111.15 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -88.87 95.09 10.16 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.936 -0.575 . . . . 0.95 110.396 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -66.56 158.36 29.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 108.982 -0.747 . . . . 1.89 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -27.9 63.67 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.7 0.682 . . . . 1.2 112.602 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -69.65 -34.44 74.0 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.775 -0.454 . . . . 0.98 109.775 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.95 -36.11 25.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.08 0.552 . . . . 1.03 110.253 177.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HA ' HD22 ' A' ' 63' ' ' LEU . 22.7 t80 -69.77 -13.19 62.16 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.571 0.748 . . . . 0.69 111.979 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -24.13 22.7 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.641 0.776 . . . . 1.62 112.879 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.9 mmm-85 -70.82 -26.76 63.44 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 118.448 0.567 . . . . 1.96 111.733 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.743 ' HB2' HD21 ' A' ' 63' ' ' LEU . 12.5 tp -93.99 -32.53 13.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.99 0.516 . . . . 0.53 110.389 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.8 mm -57.0 -38.5 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 109.557 -0.535 . . . . 0.61 109.557 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.46 81.87 Favored Glycine 0 C--N 1.355 1.611 0 N-CA-C 111.463 -0.655 . . . . 0.47 111.463 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.39 -34.04 77.38 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 0.86 111.34 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.93 -43.32 93.15 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 110.08 -0.341 . . . . 0.67 110.08 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -31.08 59.91 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.072 -0.513 . . . . 0.55 112.367 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -36.58 24.03 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.089 0.774 . . . . 0.96 113.089 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.34 33.99 0.75 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.096 0.776 . . . . 1.65 113.096 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.54 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -102.58 -36.34 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 122.595 0.358 . . . . 0.66 111.142 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.504 ' HD2' HG11 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -114.47 -37.83 4.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.026 0.751 . . . . 1.74 113.026 -178.668 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -119.37 47.31 1.72 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.598 0.592 . . . . 1.52 112.598 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -36.25 78.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.487 -0.324 . . . . 1.87 110.834 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.48 51.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.341 0.656 . . . . 1.53 109.645 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.59 -33.56 9.99 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.384 1.253 . . . . 1.81 114.384 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.0 tp -78.24 -40.46 37.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.609 0.225 . . . . 1.24 111.609 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -80.99 -66.17 0.92 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.625 0.37 . . . . 1.73 111.183 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 pt -121.73 130.84 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.652 0.381 . . . . 1.06 110.622 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -130.76 42.34 3.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.631 0.604 . . . . 2.26 112.631 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -156.21 100.56 2.01 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.486 0.314 . . . . 1.74 110.647 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.9 tttp . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 116.533 -0.303 . . . . 1.71 110.584 -179.761 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 112.685 0.624 . . . . 1.75 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 146.96 25.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.613 0.365 . . . . 0.78 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.59 35.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.48 -0.327 . . . . 0.69 110.946 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.62 138.3 31.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-O 119.259 -0.401 . . . . 1.1 111.385 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.31 114.3 2.62 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.666 2.244 . . . . 0.83 112.74 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.51 -153.22 0.52 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.996 0.518 . . . . 1.24 110.288 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -61.28 161.21 9.33 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.705 0.684 . . . . 1.06 111.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -37.84 -58.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.971 1.471 . . . . 1.51 114.971 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.22 -29.47 66.3 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.587 0.63 . . . . 0.65 112.26 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -79.24 -27.57 42.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.617 0.367 . . . . 0.95 110.954 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.98 -25.57 29.91 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.486 0.714 . . . . 0.85 111.426 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -61.49 -48.07 82.74 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.48 0.312 . . . . 0.56 110.999 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.406 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -76.47 -21.33 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 122.47 0.308 . . . . 0.53 111.338 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.406 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.6 tm-20 -72.45 -34.1 67.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.15 0.58 . . . . 1.0 111.429 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -56.32 -30.93 63.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.758 0.423 . . . . 0.88 111.89 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.86 -28.5 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.918 0.487 . . . . 0.56 110.847 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.504 HG11 ' HD2' ' A' ' 88' ' ' ARG . 4.3 t -99.92 35.43 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.414 0 C-N-CA 123.084 0.554 . . . . 0.97 110.781 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -147.14 -47.88 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 122.112 -0.368 . . . . 0.67 111.787 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -69.26 -47.56 64.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.559 0.344 . . . . 0.69 111.744 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -100.58 -10.93 20.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.461 0.911 . . . . 1.02 113.461 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -60.34 -30.88 69.82 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 119.002 0.819 . . . . 3.08 112.085 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -64.6 -37.74 88.6 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.762 0.425 . . . . 1.37 111.333 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -84.6 -31.0 24.53 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.747 0.419 . . . . 1.54 111.155 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -31.97 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.562 0.579 . . . . 0.85 112.562 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -77.88 -11.62 59.91 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.019 0.748 . . . . 1.73 113.019 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.27 -33.32 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.01 0.368 . . . . 1.68 111.734 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -97.2 -170.55 2.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.953 0.501 . . . . 1.45 110.068 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.73 144.52 41.03 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 114.1 0.4 . . . . 0.86 114.1 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 65.69 141.34 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.24 1.016 . . . . 2.62 112.064 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -75.36 -53.32 8.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.054 -0.521 . . . . 1.11 111.487 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -92.87 57.69 2.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.656 0.382 . . . . 1.36 110.444 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -150.78 120.43 6.99 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 116.404 -0.362 . . . . 1.13 111.647 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.1 mp -89.03 129.59 35.64 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.347 -0.612 . . . . 0.79 109.347 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -66.79 153.18 44.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 111.877 0.325 . . . . 0.69 111.877 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.32 -28.7 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 112.486 0.551 . . . . 0.71 112.486 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -92.35 -34.59 14.13 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 111.719 0.266 . . . . 0.83 111.719 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.62 -33.15 73.54 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.636 0.606 . . . . 1.61 112.636 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -31.67 61.77 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.878 0.308 . . . . 0.66 111.013 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -64.48 -39.49 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.371 0.269 . . . . 0.81 110.741 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.83 -30.89 67.44 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.977 0.511 . . . . 0.69 110.601 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.417 HD11 HD11 ' A' ' 9' ' ' LEU . 32.8 tp -67.1 -35.67 80.28 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.089 0.556 . . . . 0.68 111.399 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.59 -34.02 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.543 0.337 . . . . 0.48 111.292 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -98.83 39.55 1.26 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.036 0.384 . . . . 0.83 112.036 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -163.66 -55.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.074 0.398 . . . . 0.98 112.074 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.75 -15.42 14.96 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.845 0.683 . . . . 0.73 112.845 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -135.44 44.02 1.03 Allowed Pre-proline 0 CA--C 1.56 1.359 0 N-CA-C 112.177 0.436 . . . . 0.62 112.177 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.34 -32.1 1.03 Allowed 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.949 1.766 . . . . 0.48 114.858 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -74.46 -32.73 62.68 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.777 0.658 . . . . 0.81 112.777 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.59 -55.11 9.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.299 0.239 . . . . 0.88 111.4 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.13 109.24 20.13 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.803 -0.443 . . . . 0.7 109.803 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -55.4 -35.48 65.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.922 0.712 . . . . 1.23 112.922 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -96.23 92.76 6.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.366 0.266 . . . . 1.94 110.427 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.9 m -87.51 -43.05 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.526 -0.306 . . . . 0.6 111.248 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.82 -17.67 50.81 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 119.621 -0.544 . . . . 0.67 113.464 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.4 t -104.91 43.97 1.06 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 117.367 0.584 . . . . 0.92 111.101 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.94 68.36 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.331 0.586 . . . . 1.24 109.537 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -119.92 -41.52 2.66 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.61 -0.723 . . . . 0.73 110.874 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.75 -37.28 83.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.308 0.243 . . . . 1.1 110.625 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -82.49 -34.21 28.08 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.514 0.326 . . . . 1.47 110.847 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' MET . . . . . 0.476 ' HA ' HD12 ' B' ' 63' ' ' LEU . 49.0 ttp -63.03 -37.84 88.79 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 112.121 0.415 . . . . 0.81 112.121 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.34 -38.23 71.64 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.148 0.179 . . . . 2.39 110.652 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -72.32 -26.56 61.99 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.168 0.293 . . . . 0.63 110.566 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' B' ' 79' ' ' LEU . 12.8 mt -69.7 -63.57 1.05 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.622 0.769 . . . . 0.69 111.353 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.88 77.38 5.35 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 121.092 0.472 . . . . 1.32 110.346 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.03 -31.39 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 CA-C-N 116.015 -0.539 . . . . 0.72 111.449 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -70.62 -28.04 64.53 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.822 0.304 . . . . 1.38 111.822 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 62.29 77.65 0.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.595 0.758 . . . . 2.02 111.655 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -129.06 -70.62 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 1.3 110.603 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -177.43 -50.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.137 0.575 . . . . 1.35 111.277 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -113.52 148.17 36.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.816 0.446 . . . . 2.4 110.503 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.33 103.54 8.34 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.695 -0.23 . . . . 1.13 111.355 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -66.74 164.98 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.007 -0.738 . . . . 1.81 109.007 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -27.64 68.57 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.065 0.848 . . . . 1.23 111.684 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.03 -37.53 69.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 109.742 -0.466 . . . . 0.99 109.742 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.57 -33.39 41.78 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.76 0.424 . . . . 0.93 111.118 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -77.95 -9.78 59.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.736 0.414 . . . . 0.71 111.988 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -24.53 45.22 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.578 0.751 . . . . 1.54 111.935 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.479 ' HB2' HD23 ' B' ' 63' ' ' LEU . 63.6 mmt-85 -64.9 -42.1 95.04 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.918 0.487 . . . . 2.15 112.074 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.585 ' HB2' HD21 ' B' ' 63' ' ' LEU . 5.9 tp -75.25 -30.74 60.58 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 119.516 -0.278 . . . . 0.49 111.457 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.7 mm -58.83 -38.34 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 109.671 -0.492 . . . . 0.56 109.671 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.49 -34.41 44.91 Favored Glycine 0 C--N 1.36 1.867 0 O-C-N 123.384 0.428 . . . . 0.42 112.032 177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.43 -31.55 67.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.989 0.516 . . . . 0.91 110.451 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.09 -48.9 79.8 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 123.386 0.674 . . . . 0.69 110.717 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.39 54.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.046 0.387 . . . . 0.55 112.046 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.67 -35.31 65.21 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.468 0.307 . . . . 1.1 111.58 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -100.09 37.34 1.66 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.838 0.455 . . . . 1.68 112.131 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.494 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -101.82 -39.81 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 122.841 0.457 . . . . 0.63 110.084 178.72 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -36.21 4.65 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.177 0.436 . . . . 1.64 112.177 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -120.16 58.28 0.92 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 112.187 0.44 . . . . 1.65 112.187 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -34.23 38.8 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.326 -0.62 . . . . 2.03 109.326 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -138.05 63.14 1.55 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 108.661 -0.866 . . . . 1.36 108.661 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.17 -32.68 70.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.414 0.894 . . . . 1.72 113.414 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 tp -74.22 -36.9 63.98 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.137 0.421 . . . . 1.27 112.137 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -84.37 -41.96 16.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.757 0.423 . . . . 1.61 112.047 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.6 pt -135.63 157.2 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.798 0.439 . . . . 1.04 111.39 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.51 42.48 0.99 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 112.858 0.688 . . . . 2.42 112.858 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -177.04 115.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 111.734 0.272 . . . . 1.86 111.734 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 36.1 tttp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.08 -0.962 . . . . 1.85 110.701 179.118 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.925 0.713 . . . . 2.71 112.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.88 158.05 15.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.735 0.414 . . . . 1.02 110.325 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.03 122.4 44.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.821 0.304 . . . . 0.7 111.821 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.91 139.2 27.84 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.359 0.664 . . . . 1.02 110.408 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -85.49 140.24 7.21 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.562 2.175 . . . . 0.74 113.149 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 mt -133.57 -58.03 0.88 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.891 0.476 . . . . 1.19 111.201 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -107.23 157.99 17.47 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.328 0.651 . . . . 0.98 110.06 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.67 -44.97 81.92 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.866 0.466 . . . . 1.42 112.188 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.31 -31.52 67.53 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 119.719 -0.182 . . . . 0.65 111.48 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.37 -32.98 64.81 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.199 -0.297 . . . . 1.03 110.199 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.06 -26.7 64.13 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.6 0.36 . . . . 0.81 110.823 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -62.04 -42.55 99.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.5 0.32 . . . . 0.63 111.135 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.9 pp -89.3 -13.58 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.098 0.407 . . . . 0.56 112.098 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.85 -43.23 16.86 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.723 0.409 . . . . 1.0 110.781 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -59.67 -34.22 72.56 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.017 0.527 . . . . 0.77 112.181 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.03 -26.17 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 C-N-CA 122.643 0.377 . . . . 0.5 111.156 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -82.54 -72.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 122.678 0.391 . . . . 0.95 111.904 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.2 p -50.58 -36.42 34.65 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.654 1.353 . . . . 0.62 114.654 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.6 m -64.84 -42.68 94.71 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.952 0.723 . . . . 0.66 112.952 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -102.78 -30.13 11.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.158 0.799 . . . . 0.95 113.158 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 7.3 m-85 -63.51 -17.84 63.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.115 0.783 . . . . 3.17 113.115 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.5 m -62.71 -34.3 76.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.187 0.448 . . . . 1.37 110.372 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -97.95 -21.95 16.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.275 0.63 . . . . 1.55 111.545 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 21' ' ' PHE . . . -78.18 -16.6 57.74 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.733 1.012 . . . . 0.83 113.733 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.32 6.98 34.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 113.281 0.845 . . . . 1.55 113.281 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -76.92 -31.17 56.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.751 0.42 . . . . 1.8 112.051 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -127.88 137.53 52.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.706 0.402 . . . . 1.59 111.557 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.76 92.04 0.01 OUTLIER Glycine 0 C--N 1.349 1.299 0 N-CA-C 116.093 1.197 . . . . 0.92 116.093 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? 58.82 169.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.009 1.114 . . . . 2.6 114.009 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -93.09 -33.53 14.03 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.88 -0.6 . . . . 1.22 112.006 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.5 67.36 2.87 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.629 0.372 . . . . 1.43 111.923 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 p -169.28 154.44 5.85 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.934 0.716 . . . . 1.09 112.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.21 141.78 33.6 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.629 -0.878 . . . . 0.76 108.629 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -79.89 143.85 33.92 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.839 0.291 . . . . 0.68 111.513 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.96 -26.0 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 N-CA-C 112.581 0.586 . . . . 0.64 112.581 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -87.02 -32.62 19.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.496 0.318 . . . . 0.82 111.044 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.42 -22.92 28.13 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.822 0.675 . . . . 1.54 112.822 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -35.37 80.22 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.367 0.531 . . . . 0.65 110.244 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.01 -41.96 63.72 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.978 0.511 . . . . 0.87 110.809 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.97 -34.38 77.98 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.05 0.219 . . . . 0.73 110.867 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.58 -38.68 92.06 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.634 0.374 . . . . 0.65 110.775 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.0 t -73.07 -31.94 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 122.763 0.425 . . . . 0.45 111.345 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.67 31.9 4.17 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 112.058 0.392 . . . . 0.8 112.058 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.36 -60.95 0.17 Allowed 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.923 -0.486 . . . . 1.1 111.919 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.23 1.41 18.63 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.778 0.658 . . . . 0.84 112.778 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.43 HD11 HD22 ' A' ' 49' ' ' LEU . 7.9 tp -142.22 47.83 0.99 Allowed Pre-proline 0 CA--C 1.561 1.397 0 CA-C-N 118.445 0.566 . . . . 0.67 111.787 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -83.3 -39.17 0.13 Allowed 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.19 1.927 . . . . 0.52 114.822 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -73.77 -21.6 60.12 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.791 0.663 . . . . 0.85 112.791 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 HD11 ' B' ' 13' ' ' ILE . 12.7 tp -68.67 -52.76 27.58 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.995 0.368 . . . . 0.87 111.995 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.49 134.68 39.38 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 110.361 -0.237 . . . . 0.73 110.361 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -63.9 -31.47 72.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.719 0.266 . . . . 1.32 111.719 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -109.99 120.16 41.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.976 0.51 . . . . 2.08 109.924 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.07 -15.26 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.761 0.652 . . . . 0.71 112.761 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.15 -49.21 1.25 Allowed Glycine 0 C--N 1.353 1.502 0 CA-C-N 117.791 0.269 . . . . 0.83 113.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -86.86 77.93 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.974 0.416 . . . . 0.85 111.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.45 13.77 32.16 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.905 -0.589 . . . . 1.22 111.094 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.91 -34.62 78.55 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 112.25 0.463 . . . . 0.77 112.25 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -67.26 -28.38 67.99 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.567 0.347 . . . . 1.09 110.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.86 -45.36 8.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.399 0.68 . . . . 1.55 110.984 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.0 ttp -52.16 -43.73 64.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.221 0.608 . . . . 0.84 112.301 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.61 -37.28 73.82 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 122.924 0.14 . . . . 2.56 111.265 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.1 m -68.73 -31.28 70.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.353 0.261 . . . . 0.61 111.107 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 79' ' ' LEU . 41.3 mt -76.01 -55.79 5.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.025 0.53 . . . . 0.68 110.883 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.6 72.78 10.64 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 120.967 0.413 . . . . 1.39 109.931 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 p -92.09 -24.38 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-N 116.062 -0.517 . . . . 0.73 111.527 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -72.34 -28.12 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.786 0.434 . . . . 1.44 111.8 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.78 89.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.89 0.876 . . . . 1.96 111.188 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -141.16 -70.13 0.37 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.325 0.25 . . . . 1.41 110.974 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -174.17 -58.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.941 0.496 . . . . 1.31 110.507 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -113.73 157.85 21.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.734 0.414 . . . . 2.42 111.319 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.32 103.66 16.27 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.754 -0.657 . . . . 0.95 112.022 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.28 177.82 2.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.646 0.378 . . . . 1.89 109.997 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.46 -31.0 69.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.447 0.567 . . . . 1.2 110.314 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -70.72 -29.43 65.69 Favored 'General case' 0 CA--C 1.552 1.04 0 O-C-N 123.211 0.319 . . . . 0.98 110.634 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.21 -40.29 13.8 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.789 0.436 . . . . 1.03 110.225 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.667 ' HA ' HD22 ' A' ' 63' ' ' LEU . 68.0 t80 -73.19 -12.95 61.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.37 0.668 . . . . 0.69 111.261 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -53.15 -26.12 15.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.433 1.093 . . . . 1.62 113.075 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.684 ' HB2' HD23 ' A' ' 63' ' ' LEU . 26.8 mmm-85 -68.76 -26.96 65.49 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 118.223 0.465 . . . . 1.96 111.821 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 63' ' ' LEU . 9.7 tp -90.57 -31.1 16.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 110.085 -0.339 . . . . 0.53 110.085 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.9 mm -51.51 -38.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.881 -0.414 . . . . 0.61 109.881 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.38 -41.51 77.61 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 110.86 -0.896 . . . . 0.47 110.86 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.199 0.599 . . . . 0.86 112.037 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.39 -46.11 91.53 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.52 0.328 . . . . 0.67 111.061 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.26 -16.17 44.12 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.643 0.609 . . . . 0.55 112.643 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.14 -29.24 17.38 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.268 0.627 . . . . 0.96 111.35 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -86.8 -27.53 23.5 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.816 0.447 . . . . 1.65 112.088 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.471 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -58.82 -46.06 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 117.984 0.357 . . . . 0.66 111.753 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -37.38 24.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 119.582 -0.247 . . . . 1.74 111.538 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -152.71 109.87 3.52 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 112.633 0.605 . . . . 1.52 112.633 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -38.19 7.52 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.118 -0.697 . . . . 1.87 109.118 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.7 67.89 1.25 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.262 -1.385 . . . . 1.53 107.262 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -49.05 -34.51 13.63 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.335 1.235 . . . . 1.81 114.335 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.12 -32.91 33.57 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 112.014 0.376 . . . . 1.24 112.014 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -82.87 -60.74 2.07 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.365 0.266 . . . . 1.73 111.401 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -113.99 131.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.279 0.631 . . . . 1.06 109.92 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.75 37.66 1.19 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.323 0.86 . . . . 2.26 113.323 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 70.67 0.24 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.225 0.536 . . . . 1.74 111.196 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 tttp . . . . . 0 N--CA 1.47 0.541 0 CA-C-N 115.577 -0.738 . . . . 1.71 110.126 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.277 0.473 . . . . 1.75 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.3 165.25 13.19 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 111.865 0.321 . . . . 0.78 111.865 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.586 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -101.59 127.74 48.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.531 0.333 . . . . 0.69 111.434 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -129.94 136.85 29.69 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.148 0.579 . . . . 1.1 110.269 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.31 134.75 12.95 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.49 2.127 . . . . 0.83 112.818 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -123.18 -59.24 1.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.843 0.457 . . . . 1.24 111.474 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -120.72 168.18 11.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.453 0.701 . . . . 1.06 109.7 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.1 -47.1 75.43 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.864 0.69 . . . . 1.51 112.864 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.84 -36.23 70.11 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.154 0.427 . . . . 0.65 112.154 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.71 -43.27 72.74 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.816 -0.439 . . . . 0.95 109.816 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.98 -34.88 76.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.513 0.725 . . . . 0.85 111.753 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -59.78 -56.17 25.19 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.846 0.313 . . . . 0.56 111.846 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.464 HD11 HD11 ' A' ' 49' ' ' LEU . 2.7 pp -72.88 -25.65 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 117.701 0.228 . . . . 0.53 111.409 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.586 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 7.9 tm-20 -69.76 -31.34 69.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.406 0.682 . . . . 1.0 111.779 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.25 -26.74 67.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.524 0.33 . . . . 0.88 111.718 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -76.36 -26.55 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 122.88 0.472 . . . . 0.56 110.337 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.7 10.89 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 C-N-CA 123.235 0.614 . . . . 0.97 111.856 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -127.51 -43.48 1.59 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.665 0.617 . . . . 0.67 112.665 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -68.37 -48.49 64.61 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.522 0.564 . . . . 0.69 112.522 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -93.48 -8.83 40.44 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.164 0.801 . . . . 1.02 113.164 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -22.26 61.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.326 0.491 . . . . 3.08 112.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -69.86 -34.18 73.25 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.456 0.302 . . . . 1.37 110.99 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.75 -29.5 14.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.076 0.55 . . . . 1.54 112.172 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -19.32 58.26 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 113.41 0.893 . . . . 0.85 113.41 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -84.14 0.37 48.84 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.112 0.782 . . . . 1.73 113.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.33 -31.72 48.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.118 0.414 . . . . 1.68 112.118 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -132.78 141.98 48.77 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.989 0.366 . . . . 1.45 111.989 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.34 81.64 0.07 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 119.57 -0.572 . . . . 0.86 114.096 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? 59.46 171.55 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.59 0.756 . . . . 2.62 112.236 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -90.65 -42.0 11.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.679 0.391 . . . . 1.11 111.356 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.98 -23.49 48.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.373 0.509 . . . . 1.36 112.373 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.3 t -90.79 147.77 22.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.067 0.766 . . . . 1.13 113.067 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.0 158.87 15.25 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 115.438 -0.801 . . . . 0.79 109.946 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -86.69 154.06 21.26 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 120.562 0.22 . . . . 0.69 111.416 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.86 -20.7 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 112.898 0.703 . . . . 0.71 112.898 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -99.47 -36.99 9.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.761 0.424 . . . . 0.83 111.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.27 -38.67 88.36 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.83 0.678 . . . . 1.61 112.83 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.94 89.18 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.041 0.382 . . . . 0.66 110.979 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.02 -36.77 84.66 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.244 0.34 . . . . 0.81 111.181 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.75 -31.44 68.26 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.407 0.283 . . . . 0.69 110.9 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.55 -36.2 76.12 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.558 0.343 . . . . 0.68 111.184 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.74 -28.98 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.682 0.393 . . . . 0.48 111.579 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -92.46 -8.76 43.75 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.818 0.673 . . . . 0.83 112.818 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -123.41 -58.98 1.58 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.929 0.714 . . . . 0.98 112.929 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -96.44 -8.67 31.65 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.935 1.087 . . . . 0.73 113.935 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -143.24 49.58 1.2 Allowed Pre-proline 0 CA--C 1.559 1.324 0 CA-C-N 118.462 0.574 . . . . 0.62 111.962 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.9 -25.92 1.35 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.248 1.965 . . . . 0.48 114.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -80.58 -19.28 45.94 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.854 0.687 . . . . 0.81 112.854 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.43 -59.63 2.7 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.012 0.369 . . . . 0.88 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.43 114.14 22.95 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.883 -0.784 . . . . 0.7 108.883 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -51.55 -39.12 57.16 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.981 0.734 . . . . 1.23 112.981 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -93.29 110.33 21.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.356 0.262 . . . . 1.94 110.331 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -94.98 -31.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.491 0.317 . . . . 0.6 111.617 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 -49.49 3.29 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-O 119.904 -0.387 . . . . 0.67 112.828 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -82.21 90.09 6.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.022 0.439 . . . . 0.92 110.2 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.87 15.92 13.45 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.613 -0.722 . . . . 1.24 111.271 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.37 -31.92 60.66 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.203 0.446 . . . . 0.73 112.203 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.51 -38.73 90.57 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.208 0.203 . . . . 1.1 110.888 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -44.54 16.34 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.549 0.339 . . . . 1.47 110.596 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.2 ttp -55.44 -43.44 75.41 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.174 0.589 . . . . 0.81 112.152 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -64.21 -38.6 91.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.294 0.237 . . . . 2.39 110.584 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -72.32 -31.12 65.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.421 -0.354 . . . . 0.63 111.267 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' B' ' 79' ' ' LEU . 88.0 mt -68.7 -63.21 1.1 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 122.463 0.305 . . . . 0.69 110.951 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.37 77.89 9.1 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 121.403 0.62 . . . . 1.32 109.676 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.88 -32.24 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.138 -0.937 . . . . 0.72 111.941 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -70.49 -21.4 62.77 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.197 0.443 . . . . 1.38 112.197 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 62.4 59.42 1.55 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.29 0.636 . . . . 2.02 111.39 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.59 17.94 3.33 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.985 -0.552 . . . . 1.3 111.851 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m 56.97 31.25 19.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.176 0.59 . . . . 1.35 112.332 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -138.98 126.0 21.16 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.97 0.508 . . . . 2.4 110.438 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.73 68.96 0.86 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 123.384 0.427 . . . . 1.13 110.38 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 32' ' ' SER . 38.5 tttm -64.0 161.36 16.03 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.814 -0.613 . . . . 1.81 110.102 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.58 -28.92 34.83 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 118.881 0.764 . . . . 1.23 112.149 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.18 -34.23 70.73 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 122.385 0.274 . . . . 0.99 110.432 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.64 -31.33 17.58 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 0.93 110.34 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.664 ' HA ' HD22 ' B' ' 63' ' ' LEU . 25.1 t80 -79.98 -8.27 59.26 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.098 0.959 . . . . 0.71 111.171 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.17 57.03 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.912 0.885 . . . . 1.54 112.228 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.629 ' HB2' HD23 ' B' ' 63' ' ' LEU . 9.4 mmm-85 -73.45 -27.58 61.5 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 111.843 0.312 . . . . 2.15 111.843 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.786 ' HB2' HD21 ' B' ' 63' ' ' LEU . 12.1 tp -89.19 -32.4 17.47 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.567 0.347 . . . . 0.49 111.478 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mm -63.47 -37.4 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.692 -0.484 . . . . 0.56 109.692 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.0 92.42 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 111.823 -0.511 . . . . 0.42 111.823 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -77.42 -25.99 51.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.988 0.515 . . . . 0.91 110.958 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -48.12 81.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.822 0.449 . . . . 0.69 110.792 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.448 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -74.64 -32.91 62.43 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.218 0.451 . . . . 0.55 112.218 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.08 -28.36 62.25 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 122.632 0.373 . . . . 1.1 111.803 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 5.31 33.81 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.332 0.864 . . . . 1.68 113.332 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -36.76 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.582 0.628 . . . . 0.63 110.837 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -107.52 -29.98 8.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 113.458 0.911 . . . . 1.64 113.458 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -139.34 61.39 1.56 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 113.478 0.918 . . . . 1.65 113.478 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -35.41 55.34 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 109.774 -0.454 . . . . 2.03 109.774 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -137.51 70.14 1.4 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.214 -1.032 . . . . 1.36 108.214 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.614 0.968 . . . . 1.72 113.614 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.07 -44.9 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 111.771 0.286 . . . . 1.27 111.771 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -74.43 -48.85 25.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.912 0.485 . . . . 1.61 111.508 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 46.0 pt -127.83 145.41 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.228 0.611 . . . . 1.04 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -141.84 27.81 1.8 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.701 0.63 . . . . 2.42 112.701 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.75 101.33 0.57 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.181 -0.325 . . . . 1.86 111.759 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.087 -0.959 . . . . 1.85 109.976 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 120.703 0.287 . . . . 2.71 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.3 150.87 39.82 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 122.689 0.396 . . . . 1.02 111.048 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.19 107.05 15.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.473 -0.331 . . . . 0.7 110.247 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -106.18 129.73 24.09 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-O 119.078 -0.487 . . . . 1.02 110.218 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.67 126.03 21.1 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.785 2.323 . . . . 0.74 114.232 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.0 mt -125.16 -164.22 1.27 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.799 0.84 . . . . 1.19 109.551 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -55.67 159.65 2.89 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.486 0.584 . . . . 0.98 111.442 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -37.58 -57.98 0.91 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.883 1.438 . . . . 1.42 114.883 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.15 -31.08 67.27 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.188 0.449 . . . . 0.65 112.176 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.02 -29.8 63.29 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.878 -0.415 . . . . 1.03 109.878 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.23 -16.95 53.63 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.204 0.602 . . . . 0.81 111.763 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -57.53 -46.96 83.23 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.562 0.345 . . . . 0.63 111.44 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -87.49 -12.4 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 111.854 0.316 . . . . 0.56 111.854 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -75.33 -42.47 54.32 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.661 . . . . 1.0 111.33 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 m -64.05 -26.36 68.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.678 0.391 . . . . 0.77 111.807 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.1 t -73.62 -27.84 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 122.824 0.45 . . . . 0.5 110.566 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . 33.3 t -90.46 11.93 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 C-N-CA 123.164 0.586 . . . . 0.95 111.438 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 p -124.06 -46.84 1.93 Allowed 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.844 -0.535 . . . . 0.62 111.869 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -62.81 -44.65 95.6 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.567 0.951 . . . . 0.66 113.567 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -103.16 -24.96 13.54 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.881 1.067 . . . . 0.95 113.881 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.8 -22.53 66.69 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 112.869 0.692 . . . . 3.17 112.869 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 m -69.49 -29.41 67.05 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 117.886 0.312 . . . . 1.37 110.949 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -93.42 -36.5 12.45 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.122 0.569 . . . . 1.55 111.205 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 33' ' ' LEU . . . -75.29 -25.0 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.524 0.935 . . . . 0.83 113.524 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -60.87 -25.01 66.38 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.274 0.842 . . . . 1.55 113.274 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.18 -15.7 62.49 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.338 0.866 . . . . 1.8 113.338 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -122.69 105.53 10.15 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 112.956 0.725 . . . . 1.59 112.956 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 98.59 0.01 OUTLIER Glycine 0 C--N 1.352 1.432 0 N-CA-C 115.557 0.983 . . . . 0.92 115.557 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 56.77 168.82 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.089 0.956 . . . . 2.6 113.346 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -95.47 -8.82 34.29 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.415 0.894 . . . . 1.22 113.415 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.84 -31.08 11.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.374 0.879 . . . . 1.43 113.374 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.9 p -92.17 158.5 16.14 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.227 0.825 . . . . 1.09 113.227 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 6.5 mp -97.0 167.52 11.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.627 0.771 . . . . 0.76 110.512 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 t -86.4 154.87 20.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.326 0.25 . . . . 0.68 111.098 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.26 -27.36 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.59 0.589 . . . . 0.64 112.59 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -101.53 -40.0 7.25 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.112 0.782 . . . . 0.82 113.112 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.19 -26.68 64.01 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.07 0.767 . . . . 1.54 113.07 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.29 86.44 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.376 0.535 . . . . 0.65 110.691 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.17 -34.83 78.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.789 0.436 . . . . 0.87 111.059 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.53 -35.43 80.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.268 0.355 . . . . 0.73 110.399 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.44 -39.68 85.41 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.67 0.388 . . . . 0.65 111.196 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.42 -27.59 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.651 0.38 . . . . 0.45 111.249 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.37 26.5 9.78 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 122.525 0.33 . . . . 0.8 111.886 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -145.69 -62.43 0.33 Allowed 'General case' 0 C--N 1.358 0.962 0 O-C-N 122.071 -0.393 . . . . 1.1 111.883 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -103.06 -12.79 17.16 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.712 0.634 . . . . 0.84 112.712 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 4.3 tp -130.52 39.41 0.51 Allowed Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 112.397 0.517 . . . . 0.67 112.397 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 93.6 Cg_endo -80.4 -28.2 3.05 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.13 1.886 . . . . 0.52 114.502 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -79.23 -9.85 59.67 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.79 0.663 . . . . 0.85 112.79 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HG ' ' A' ' 83' ' ' LEU . 18.6 tp -87.47 -64.42 1.15 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.231 0.469 . . . . 0.87 110.985 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.74 108.8 16.37 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.904 -0.776 . . . . 0.73 108.904 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.12 -38.18 24.18 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.548 0.944 . . . . 1.32 113.548 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -104.43 99.18 8.87 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.817 -0.438 . . . . 2.08 109.817 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.9 m -96.24 -31.65 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.705 0.402 . . . . 0.71 111.623 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.33 -54.31 9.1 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 120.054 -0.303 . . . . 0.83 113.251 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.2 t -90.51 76.63 6.58 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.035 0.445 . . . . 0.85 110.323 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 49.97 0.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.85 -0.796 . . . . 1.22 108.85 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.1 -35.6 7.19 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.83 -0.623 . . . . 0.77 111.111 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.64 -30.47 71.49 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.282 0.233 . . . . 1.09 110.473 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -89.1 -35.3 16.37 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 123.082 0.553 . . . . 1.55 111.175 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.74 -38.87 76.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 111.967 0.358 . . . . 0.84 111.967 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.9 -34.16 77.18 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.173 0.189 . . . . 2.56 110.816 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 m -68.42 -35.99 78.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.619 0.368 . . . . 0.61 110.881 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 79' ' ' LEU . 33.1 mt -70.82 -59.35 2.85 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 122.278 0.231 . . . . 0.68 110.46 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.58 85.14 6.03 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 120.899 0.381 . . . . 1.39 110.148 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.7 p -102.05 -22.86 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.742 -0.663 . . . . 0.73 111.979 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.05 -17.98 48.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.28 0.474 . . . . 1.44 112.28 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.23 86.16 0.13 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.499 0.72 . . . . 1.96 111.176 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -158.58 -78.07 0.07 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.825 0.45 . . . . 1.41 110.657 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.1 t 173.58 -43.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.155 0.982 . . . . 1.31 110.842 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.2 153.25 40.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.312 0.645 . . . . 2.42 112.536 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.64 84.92 2.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.79 -0.641 . . . . 0.95 110.144 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.72 164.05 5.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.229 0.612 . . . . 1.89 109.786 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -29.4 70.72 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.087 0.858 . . . . 1.2 111.826 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.36 -29.21 64.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.373 -0.602 . . . . 0.98 109.373 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.67 -46.03 14.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.494 0.717 . . . . 1.03 109.393 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HA ' HD22 ' A' ' 63' ' ' LEU . 12.4 t80 -69.34 -15.97 63.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.953 0.901 . . . . 0.69 111.67 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -50.75 -31.79 17.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.845 0.858 . . . . 1.62 111.761 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.625 ' HB2' HD23 ' A' ' 63' ' ' LEU . 1.4 mmt-85 -61.72 -38.79 89.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.535 0.334 . . . . 1.96 111.558 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.689 ' HB2' HD21 ' A' ' 63' ' ' LEU . 10.0 tp -84.11 -35.44 23.69 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 119.212 -0.423 . . . . 0.53 111.132 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -53.28 -38.14 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 117.923 0.329 . . . . 0.61 110.351 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.69 86.4 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.028 -0.829 . . . . 0.47 111.028 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.26 -28.69 70.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.532 0.333 . . . . 0.86 111.317 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' HG ' HD23 ' A' ' 49' ' ' LEU . 7.5 mp -66.6 -52.23 47.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 117.857 0.299 . . . . 0.67 110.357 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.09 -12.82 60.01 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 112.974 0.731 . . . . 0.55 112.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.28 -39.31 11.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.029 0.532 . . . . 0.96 110.504 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.25 30.4 2.51 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.164 0.586 . . . . 1.65 111.784 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -45.05 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.65 0.38 . . . . 0.66 110.43 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 -36.53 8.75 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.125 0.417 . . . . 1.74 112.125 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -127.96 58.49 1.51 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.475 0.546 . . . . 1.52 112.475 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.53 78.92 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 122.24 -0.287 . . . . 1.87 110.802 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -134.72 73.48 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.191 -1.04 . . . . 1.53 108.191 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.28 -34.84 72.75 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.568 0.951 . . . . 1.81 113.568 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp -73.9 -39.16 64.06 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.025 0.38 . . . . 1.24 112.025 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -79.09 -56.17 4.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.54 0.336 . . . . 1.73 111.637 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.13 148.86 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 122.81 0.444 . . . . 1.06 111.448 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -140.46 42.97 1.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.539 0.335 . . . . 2.26 111.736 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -168.41 121.19 0.84 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.068 0.396 . . . . 1.74 112.068 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 1.71 110.684 179.135 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.847 0.314 . . . . 1.75 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.13 24.01 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 122.8 0.44 . . . . 0.78 111.359 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.02 136.91 36.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.412 0.285 . . . . 0.69 111.428 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -138.76 146.18 49.19 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 122.871 0.468 . . . . 1.1 110.976 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -80.73 141.57 13.71 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.76 2.307 . . . . 0.83 112.811 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -139.02 -61.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 111.928 0.344 . . . . 1.24 111.928 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.06 169.08 10.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.256 0.622 . . . . 1.06 110.548 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.54 -41.33 89.82 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.945 0.498 . . . . 1.51 112.116 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.32 -37.21 45.15 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.362 0.265 . . . . 0.65 111.637 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.94 -34.43 71.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.581 0.352 . . . . 0.95 111.19 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.44 -35.57 70.96 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 122.471 0.308 . . . . 0.85 110.83 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -56.56 -48.38 77.45 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.734 0.414 . . . . 0.56 111.838 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.08 -26.36 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 122.393 0.277 . . . . 0.53 111.585 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -32.33 60.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.198 0.599 . . . . 1.0 111.952 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -61.0 -31.63 71.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.841 0.456 . . . . 0.88 112.105 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.37 -32.42 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.363 0.265 . . . . 0.56 111.08 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 t -84.07 -53.06 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.618 0.367 . . . . 0.97 111.436 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.4 p -59.21 -46.4 88.54 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.272 1.212 . . . . 0.67 114.272 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -65.36 -48.44 72.95 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.833 0.679 . . . . 0.69 112.833 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -92.53 18.61 8.34 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 113.031 0.752 . . . . 1.02 113.031 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -75.27 -26.93 59.18 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.646 0.657 . . . . 3.08 110.926 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -60.67 -43.21 97.94 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.82 0.448 . . . . 1.37 110.933 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -80.38 -39.75 27.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.333 0.253 . . . . 1.54 110.778 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.95 -29.99 69.97 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.455 0.909 . . . . 0.85 113.455 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -88.72 9.31 24.81 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.173 0.805 . . . . 1.73 113.173 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -75.07 -37.76 61.52 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 117.969 0.349 . . . . 1.68 110.945 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.74 -175.81 2.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.267 0.627 . . . . 1.45 110.564 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.19 163.42 2.35 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.744 0.658 . . . . 0.86 114.744 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? 64.53 139.46 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.128 0.971 . . . . 2.62 111.02 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -76.94 -64.85 1.03 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 122.389 -0.194 . . . . 1.11 111.326 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -89.52 71.64 7.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.444 -0.576 . . . . 1.36 109.444 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -156.18 141.59 17.61 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.07 -0.514 . . . . 1.13 112.269 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.92 141.76 32.3 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.193 0.597 . . . . 0.79 109.476 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.4 t -81.1 161.4 24.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.051 0.141 . . . . 0.69 111.077 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.07 -31.69 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 112.808 0.67 . . . . 0.71 112.808 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -104.6 25.73 9.93 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 111.893 0.331 . . . . 0.83 111.893 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -121.33 -45.37 2.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.942 0.497 . . . . 1.61 111.456 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -65.25 -33.38 75.85 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.624 0.193 . . . . 0.66 110.764 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -71.02 -41.67 70.54 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.371 0.419 . . . . 0.81 110.251 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -69.71 -30.0 67.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.382 0.273 . . . . 0.69 111.449 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.3 -36.0 78.67 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 110.361 -0.237 . . . . 0.68 110.361 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.0 t -74.02 -23.56 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.041 0.536 . . . . 0.48 110.89 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -98.66 -14.36 19.88 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 112.858 0.688 . . . . 0.83 112.858 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -111.3 -60.51 1.83 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.265 0.839 . . . . 0.98 113.265 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -107.57 2.24 23.88 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 114.166 1.173 . . . . 0.73 114.166 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.415 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 0.4 OUTLIER -145.34 47.75 0.71 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-N 118.697 0.68 . . . . 0.62 112.317 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 60.3 Cg_endo -88.65 -23.93 0.92 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.424 2.083 . . . . 0.48 115.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.88 -28.18 28.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.219 0.452 . . . . 0.81 112.219 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.74 -52.98 20.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.775 0.287 . . . . 0.88 111.775 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.68 115.87 29.66 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.527 -0.545 . . . . 0.7 109.527 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.148 0.796 . . . . 1.23 113.148 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -85.07 82.22 8.53 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.762 0.255 . . . . 1.94 110.35 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.9 -35.32 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 116.487 -0.324 . . . . 0.6 111.453 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.72 -38.04 5.93 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-O 119.801 -0.444 . . . . 0.67 113.197 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -91.65 74.1 5.86 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.172 0.486 . . . . 0.92 110.896 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 3.28 34.45 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.831 -0.622 . . . . 1.24 111.557 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.42 -27.24 67.68 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.67 0.619 . . . . 0.73 112.67 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -66.1 -47.92 72.6 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.439 0.296 . . . . 1.1 111.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -75.12 -34.35 61.68 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 119.425 -0.321 . . . . 1.47 110.665 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.4 ttp -50.94 -42.18 59.55 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.272 0.629 . . . . 0.81 112.432 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -69.62 -41.77 75.22 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.733 0.413 . . . . 2.39 110.916 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -71.43 -30.67 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.971 0.508 . . . . 0.63 111.809 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' B' ' 78' ' ' ARG . 41.2 mt -70.16 -62.21 1.48 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.134 0.573 . . . . 0.69 110.779 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.93 77.09 6.99 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.269 0.557 . . . . 1.32 110.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 p -75.61 -29.9 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 115.377 -0.829 . . . . 0.72 111.488 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.01 -33.96 72.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.061 0.544 . . . . 1.38 111.902 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 66.07 68.53 0.45 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.291 0.636 . . . . 2.02 110.304 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.11 -63.9 1.35 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.963 -0.562 . . . . 1.3 110.8 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t 177.78 -49.75 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.488 0.715 . . . . 1.35 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.81 163.15 16.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.265 0.626 . . . . 2.4 111.205 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -96.33 99.03 10.75 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 1.13 110.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.54 166.3 19.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.92 -1.141 . . . . 1.81 107.92 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -20.96 62.49 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.02 0.827 . . . . 1.23 112.316 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.63 -29.81 61.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.408 -0.59 . . . . 0.99 109.408 175.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.27 -41.27 14.74 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 123.332 0.653 . . . . 0.93 109.781 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.41 ' HA ' HD22 ' B' ' 63' ' ' LEU . 20.1 t80 -67.58 -17.95 64.82 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.615 0.766 . . . . 0.71 110.563 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -37.98 -43.41 0.71 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 126.217 1.807 . . . . 1.54 113.982 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' B' ' 63' ' ' LEU . 18.8 mmm180 -68.69 -32.78 72.84 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.198 0.814 . . . . 2.15 113.198 -178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.497 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.8 tp -73.77 -28.72 61.81 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.227 0.467 . . . . 0.49 111.352 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 mm -68.51 -38.82 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 109.607 -0.516 . . . . 0.56 109.607 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.26 -38.89 88.06 Favored Glycine 0 C--N 1.358 1.804 0 N-CA-C 111.948 -0.461 . . . . 0.42 111.948 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.32 -25.18 54.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.681 0.393 . . . . 0.91 110.233 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -48.69 80.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.189 0.596 . . . . 0.69 110.964 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.36 -25.68 57.92 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.74 0.645 . . . . 0.55 112.74 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -75.98 -35.76 59.49 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.799 0.296 . . . . 1.1 111.799 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -79.79 -12.86 59.75 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.993 0.738 . . . . 1.68 112.993 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.443 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.3 OUTLIER -67.33 -42.59 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.686 0.675 . . . . 0.63 111.503 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -98.96 -43.39 6.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.501 0.321 . . . . 1.64 111.405 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -125.27 81.94 2.01 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 112.79 0.663 . . . . 1.65 112.79 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -84.84 -33.19 22.92 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 109.308 -0.627 . . . . 2.03 109.308 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -140.69 75.12 1.49 Allowed 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.68 0.792 . . . . 1.36 108.907 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -76.44 70.21 2.99 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.407 0.622 . . . . 1.72 110.816 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -171.3 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.239 -0.891 . . . . 1.27 109.93 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -93.43 -44.83 8.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.214 0.606 . . . . 1.61 110.265 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 10.9 pt -130.59 116.49 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.102 0.561 . . . . 1.04 111.296 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -140.3 50.4 1.7 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.939 0.399 . . . . 2.42 111.554 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -161.77 41.14 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 111.828 0.307 . . . . 1.86 111.828 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.01 -0.995 . . . . 1.85 110.757 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 113.116 0.784 . . . . 2.71 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.9 136.9 48.45 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.896 0.478 . . . . 1.02 110.435 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 116.46 22.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.527 0.203 . . . . 0.7 111.435 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.05 140.76 21.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 122.903 0.481 . . . . 1.02 110.711 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -62.95 138.2 66.76 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.532 2.155 . . . . 0.74 113.073 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -136.7 -122.87 0.15 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 118.796 -0.621 . . . . 1.19 110.182 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m -72.16 163.59 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 119.425 1.011 . . . . 0.98 110.651 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.67 -40.4 39.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 112.941 0.719 . . . . 1.42 112.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.59 -42.22 43.32 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.788 0.267 . . . . 0.65 110.982 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.25 -31.73 72.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.136 0.174 . . . . 1.03 110.755 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.32 -28.78 62.27 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.218 0.607 . . . . 0.81 111.36 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -57.82 -60.59 3.47 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 122.329 0.252 . . . . 0.63 110.858 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.9 pp -66.7 -27.88 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.684 0.253 . . . . 0.56 111.684 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.476 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.2 tm-20 -63.73 -40.86 97.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 1.0 111.862 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 m -64.41 -33.05 74.97 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.532 0.333 . . . . 0.77 111.127 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.7 t -70.3 -32.42 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.721 0.408 . . . . 0.5 110.995 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.85 -57.23 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.048 0.539 . . . . 0.95 111.851 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -62.5 -29.71 70.74 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.418 1.266 . . . . 0.62 114.418 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -75.56 -33.6 60.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.67 0.989 . . . . 0.66 113.67 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -107.61 -27.55 10.28 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.312 1.227 . . . . 0.95 114.312 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.71 -20.17 66.18 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.8 0.727 . . . . 3.17 112.39 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.0 m -70.37 -31.33 68.53 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.409 0.284 . . . . 1.37 111.339 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.99 -28.71 13.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.737 0.415 . . . . 1.55 112.068 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.68 -23.36 49.61 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.626 0.972 . . . . 0.83 113.626 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -64.27 -24.38 67.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.085 1.142 . . . . 1.55 114.085 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -72.61 -25.18 61.22 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.369 0.877 . . . . 1.8 113.369 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -77.07 -41.66 41.41 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.077 0.769 . . . . 1.59 113.077 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.91 122.69 0.69 Allowed Glycine 0 C--N 1.349 1.261 0 C-N-CA 120.882 -0.675 . . . . 0.92 113.227 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? 62.96 141.74 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.798 0.839 . . . . 2.6 111.091 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.81 -38.96 57.65 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.027 0.751 . . . . 1.22 113.027 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.67 27.88 3.68 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.155 0.428 . . . . 1.43 112.155 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -135.03 145.7 48.29 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.899 0.479 . . . . 1.09 110.794 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mp -99.15 162.46 13.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 0.76 110.646 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 t -87.43 165.93 15.19 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.718 0.407 . . . . 0.68 111.612 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -89.51 -25.68 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 122.883 0.473 . . . . 0.64 112.003 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -97.52 -38.81 9.43 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.851 0.315 . . . . 0.82 111.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.12 -35.48 74.13 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.446 0.536 . . . . 1.54 112.446 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -27.92 67.79 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.987 0.358 . . . . 0.65 111.124 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.07 -36.93 80.63 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 122.63 0.372 . . . . 0.87 110.099 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.03 -33.59 72.18 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.792 0.437 . . . . 0.73 110.455 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.06 -38.41 86.11 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.255 0.622 . . . . 0.65 111.414 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' HA ' ' HB3' ' A' ' 46' ' ' LEU . 51.1 t -81.64 -24.27 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 122.696 0.398 . . . . 0.45 111.399 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.4 m -90.89 -3.38 57.39 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.662 0.616 . . . . 0.8 112.662 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -131.75 -56.14 1.0 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 112.805 0.669 . . . . 1.1 112.805 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -99.81 2.53 44.08 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.543 0.942 . . . . 0.84 113.543 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 42' ' ' VAL . 4.5 tp -146.67 47.56 0.61 Allowed Pre-proline 0 CA--C 1.563 1.445 0 CA-C-N 118.254 0.479 . . . . 0.67 111.327 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 89.5 Cg_endo -82.5 -43.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.315 2.01 . . . . 0.52 114.326 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -63.2 -34.45 77.67 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.919 0.34 . . . . 0.85 111.919 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.39 -55.44 13.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.582 0.353 . . . . 0.87 110.453 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -113.58 81.85 1.58 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.702 -0.851 . . . . 0.73 108.702 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -57.49 -33.53 68.1 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.804 1.039 . . . . 1.32 113.804 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.25 78.4 6.92 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.054 0.454 . . . . 2.08 110.095 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.14 -32.48 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.897 -0.592 . . . . 0.71 112.292 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.69 59.22 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 119.693 -0.504 . . . . 0.83 113.516 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -90.95 53.2 2.32 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.248 0.524 . . . . 0.85 111.287 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -17.76 33.19 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.513 -0.312 . . . . 1.22 110.458 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -60.31 -31.53 70.36 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.626 0.371 . . . . 0.77 111.154 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.42 -36.86 74.26 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.851 0.46 . . . . 1.09 110.633 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.1 -39.28 13.73 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.897 0.479 . . . . 1.55 110.5 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 ttp -57.08 -33.98 67.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.173 0.589 . . . . 0.84 112.131 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.91 -37.21 85.49 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.349 0.26 . . . . 2.56 110.591 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.9 m -74.96 -31.13 61.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.859 0.464 . . . . 0.61 111.044 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 79' ' ' LEU . 60.8 mt -76.11 -59.38 2.78 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 122.351 0.261 . . . . 0.68 110.593 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -80.97 73.41 8.0 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.078 0.466 . . . . 1.39 110.299 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -96.82 -34.0 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.881 -0.599 . . . . 0.73 111.531 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -73.55 -27.89 61.58 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.553 0.341 . . . . 1.44 111.106 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 67.46 78.44 0.24 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.216 1.006 . . . . 1.96 111.836 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -143.33 8.45 1.59 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.885 -0.598 . . . . 1.41 112.157 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 61.09 18.33 8.91 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.294 0.638 . . . . 1.31 112.516 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -139.28 112.96 8.44 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.316 -0.624 . . . . 2.42 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.8 83.69 7.08 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.079 0.237 . . . . 0.95 111.624 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -60.97 164.86 4.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.056 -0.72 . . . . 1.89 109.056 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' B' ' 84' ' ' ALA . 12.3 t80 -63.69 -24.75 67.9 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.126 0.876 . . . . 1.2 112.273 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.6 -29.08 63.19 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.489 -0.56 . . . . 0.98 109.489 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.63 -40.69 15.93 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.547 -0.538 . . . . 1.03 109.547 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -71.66 -16.31 62.25 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.342 0.657 . . . . 0.69 111.267 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -53.53 -32.29 49.9 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.529 1.132 . . . . 1.62 112.666 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.547 ' HB2' HD23 ' A' ' 63' ' ' LEU . 53.4 mmm-85 -69.02 -26.03 64.79 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.584 0.587 . . . . 1.96 112.584 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 63' ' ' LEU . 12.8 tp -84.46 -32.57 23.96 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.109 0.413 . . . . 0.53 111.359 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.96 -35.56 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 117.801 0.273 . . . . 0.61 110.409 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.72 -38.03 89.42 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 111.5 -0.64 . . . . 0.47 111.5 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.36 -32.94 69.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.854 0.461 . . . . 0.86 110.619 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.4 -50.76 72.53 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.026 0.53 . . . . 0.67 111.36 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.56 -16.69 47.59 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.224 0.824 . . . . 0.55 113.224 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -82.36 -35.82 27.43 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.182 0.446 . . . . 0.96 110.865 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -80.38 -21.96 41.8 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.583 0.586 . . . . 1.65 112.583 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.433 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -62.87 -41.19 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-N 118.333 0.515 . . . . 0.66 111.486 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -47.05 12.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.23 0.212 . . . . 1.74 111.378 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -147.98 102.16 3.36 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.915 0.388 . . . . 1.52 111.812 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -38.36 13.06 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.032 -0.531 . . . . 1.87 109.72 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -117.39 81.49 1.66 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.085 -1.08 . . . . 1.53 108.085 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.32 63.3 1.39 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.307 0.484 . . . . 1.81 112.307 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.9 tp -176.43 -49.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.756 0.822 . . . . 1.24 110.805 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -81.22 -54.67 5.31 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.069 0.547 . . . . 1.73 111.734 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.06 127.72 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.686 0.394 . . . . 1.06 110.857 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -138.45 49.85 1.89 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.791 0.293 . . . . 2.26 111.791 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -170.63 101.43 0.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.566 0.347 . . . . 1.74 110.549 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.345 0.396 0 CA-C-O 121.018 0.437 . . . . 1.71 110.725 -179.35 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 120.181 0.039 . . . . 1.75 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 146.38 24.9 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.57 0.348 . . . . 0.78 110.882 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.78 111.69 23.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.485 0.314 . . . . 0.69 111.165 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -111.22 137.0 20.87 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 122.94 0.496 . . . . 1.1 110.671 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.11 145.48 11.05 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.429 2.086 . . . . 0.83 113.19 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.0 -65.16 0.49 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.64 0.376 . . . . 1.24 111.09 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 m -101.02 160.87 14.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.116 0.567 . . . . 1.06 110.043 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -55.79 -40.0 72.07 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.301 0.482 . . . . 1.51 112.301 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt -75.69 -39.08 58.06 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.684 0.394 . . . . 0.65 111.478 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.49 -36.15 78.53 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.127 -0.323 . . . . 0.95 110.127 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.142 0.577 . . . . 0.85 110.981 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -61.19 -53.83 51.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.35 0.26 . . . . 0.56 111.209 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.86 -18.56 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 112.186 0.439 . . . . 0.53 112.186 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -83.77 -38.51 21.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.299 0.64 . . . . 1.0 111.196 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -62.19 -31.83 72.39 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.558 0.343 . . . . 0.88 111.667 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.07 -32.12 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 110.355 -0.239 . . . . 0.56 110.355 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.45 -51.55 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.013 0.525 . . . . 0.97 110.894 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.7 p -60.47 -23.4 64.44 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.35 1.241 . . . . 0.67 114.35 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -85.02 -44.68 12.84 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.62 0.645 . . . . 0.69 112.132 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -98.32 3.14 48.66 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.444 1.275 . . . . 1.02 114.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -67.94 -33.27 74.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 119.546 1.067 . . . . 3.08 110.628 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -62.13 -38.41 88.86 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.855 0.462 . . . . 1.37 111.203 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -86.03 -32.7 21.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.818 0.447 . . . . 1.54 111.69 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.07 -26.83 63.23 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.608 0.966 . . . . 0.85 113.608 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -78.76 -1.95 37.12 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.857 1.058 . . . . 1.73 113.857 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.38 -36.34 79.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 118.296 0.498 . . . . 1.68 112.222 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -102.87 -175.94 2.95 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.661 0.384 . . . . 1.45 110.735 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.7 145.73 8.1 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 114.919 0.727 . . . . 0.86 114.919 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? 63.5 128.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.409 1.084 . . . . 2.62 111.475 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.43 -33.16 69.16 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.011 0.374 . . . . 1.11 112.011 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -98.38 33.69 2.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.571 0.349 . . . . 1.36 111.337 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -134.29 146.18 49.78 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 122.489 0.316 . . . . 1.13 111.441 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.93 151.83 21.28 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.051 -0.522 . . . . 0.79 110.346 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.0 t -80.45 148.97 30.28 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.677 -0.49 . . . . 0.69 109.677 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.27 -14.92 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 112.431 0.53 . . . . 0.71 112.431 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -102.48 -35.39 8.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.771 0.428 . . . . 0.83 111.538 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.65 -35.47 70.37 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 112.904 0.705 . . . . 1.61 112.904 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.82 -35.12 79.79 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.934 0.334 . . . . 0.66 110.474 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -67.67 -37.37 82.25 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.779 0.431 . . . . 0.81 110.574 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.59 -36.35 78.59 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.615 0.366 . . . . 0.69 110.923 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.35 -35.32 80.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.512 0.325 . . . . 0.68 110.54 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.32 -29.21 30.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.11 0.564 . . . . 0.48 111.092 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -101.49 13.61 34.46 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.181 0.437 . . . . 0.83 112.181 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -135.73 -46.1 0.67 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.212 0.449 . . . . 0.98 112.212 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -117.16 -14.46 10.52 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.426 0.898 . . . . 0.73 113.426 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.49 38.92 0.46 Allowed Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 112.789 0.663 . . . . 0.62 112.789 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -75.76 -36.87 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.192 1.928 . . . . 0.48 114.51 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.86 -24.39 62.5 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.446 0.535 . . . . 0.81 112.446 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.15 -60.16 2.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.45 0.3 . . . . 0.88 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.0 mt -92.27 108.52 20.02 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.188 -0.671 . . . . 0.7 109.188 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -52.22 -37.14 54.14 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.696 0.628 . . . . 1.23 112.696 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -99.24 82.43 2.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 122.355 0.262 . . . . 1.94 111.392 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.16 -32.4 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 111.803 0.298 . . . . 0.6 111.803 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.34 -43.37 8.02 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 119.807 -0.44 . . . . 0.67 112.429 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -87.06 78.2 8.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.103 0.477 . . . . 0.92 110.014 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.26 9.16 19.95 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.245 -0.889 . . . . 1.24 110.533 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.71 -34.9 65.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.961 0.356 . . . . 0.73 111.961 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.31 -35.53 77.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.248 0.219 . . . . 1.1 110.98 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.22 -29.58 19.16 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.102 0.561 . . . . 1.47 111.502 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 45.1 ttp -64.68 -41.5 96.01 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.631 0.604 . . . . 0.81 112.631 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.82 -42.13 77.64 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.998 0.363 . . . . 2.39 110.446 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -66.33 -38.56 87.94 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.467 0.307 . . . . 0.63 110.402 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.68 -41.81 95.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.456 0.703 . . . . 0.69 110.758 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -106.72 64.47 0.65 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.105 0.562 . . . . 1.32 110.359 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.22 -26.17 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 116.244 -0.434 . . . . 0.72 111.108 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.56 -28.57 66.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.051 0.54 . . . . 1.38 111.526 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 64.53 73.54 0.42 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.379 1.072 . . . . 2.02 112.558 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -152.14 15.82 0.63 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.237 0.458 . . . . 1.3 112.237 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t 57.2 29.22 16.31 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.762 0.825 . . . . 1.35 112.882 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -138.02 123.23 19.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.627 0.371 . . . . 2.4 110.088 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.55 76.47 1.83 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.53 0.332 . . . . 1.13 111.044 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -65.6 154.69 38.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.393 -0.966 . . . . 1.81 108.393 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -27.44 43.24 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 118.845 0.748 . . . . 1.23 112.959 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.42 -39.19 81.67 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 110.07 -0.344 . . . . 0.99 110.07 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -88.97 -23.79 22.57 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.348 0.659 . . . . 0.93 111.356 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -80.66 -6.1 57.9 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.028 0.531 . . . . 0.71 111.116 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -19.51 63.62 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.471 0.708 . . . . 1.54 112.564 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.53 -43.21 97.41 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 118.322 0.51 . . . . 2.15 111.495 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.0 tp -79.95 -23.24 41.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.392 0.277 . . . . 0.49 111.046 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.83 -35.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.771 0.428 . . . . 0.56 110.427 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.21 63.94 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 111.817 -0.513 . . . . 0.42 111.817 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.28 -14.92 59.22 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.91 111.313 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -56.99 13.34 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.403 0.681 . . . . 0.69 111.285 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.595 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -89.39 -6.04 56.93 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.66 0.615 . . . . 0.55 112.66 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -89.5 -32.8 17.02 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.886 0.312 . . . . 1.1 110.901 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -96.93 27.81 3.83 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.288 0.235 . . . . 1.68 111.592 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.22 -42.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.839 0.456 . . . . 0.63 110.157 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -32.06 9.94 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.608 0.363 . . . . 1.64 111.836 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -129.56 57.68 1.66 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 121.466 0.65 . . . . 1.65 111.351 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -39.1 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.81 -0.632 . . . . 2.03 111.182 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -127.15 74.34 1.5 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.974 -1.121 . . . . 1.36 107.974 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.0 74.13 2.89 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tp -173.94 -51.25 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.124 0.57 . . . . 1.27 111.054 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -91.49 -37.86 12.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.536 0.334 . . . . 1.61 111.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 25.0 pt -122.33 141.88 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.83 0.452 . . . . 1.04 110.674 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -149.53 19.99 0.93 Allowed 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.923 0.712 . . . . 2.42 112.923 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.65 102.09 2.36 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.721 0.296 . . . . 1.86 110.513 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.191 -0.909 . . . . 1.85 110.611 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 113.211 0.819 . . . . 2.71 113.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.8 149.09 37.54 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 122.727 0.411 . . . . 1.02 111.728 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.539 ' HB1' ' HG2' ' A' ' 14' ' ' GLU . . . -100.44 105.05 16.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.838 0.455 . . . . 0.7 110.769 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.28 144.0 27.29 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.257 0.623 . . . . 1.02 111.414 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.67 131.34 41.73 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.87 2.38 . . . . 0.74 113.364 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.9 mt -127.94 -146.83 0.34 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 109.171 -0.677 . . . . 1.19 109.171 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -63.13 178.29 0.52 Allowed 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.247 0.931 . . . . 0.98 111.839 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -55.24 -46.1 76.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.242 0.83 . . . . 1.42 113.242 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.72 -40.97 27.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.716 0.235 . . . . 0.65 111.383 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -66.27 -25.34 66.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.612 0.365 . . . . 1.03 111.603 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.83 -28.08 26.33 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.065 0.546 . . . . 0.81 111.036 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.4 m -56.96 -54.32 48.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.655 0.382 . . . . 0.63 111.114 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.61 -22.99 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 O-C-N 123.097 0.248 . . . . 0.56 111.53 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 2.0 tm-20 -71.85 -38.78 70.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.693 0.397 . . . . 1.0 110.407 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -58.8 -36.4 74.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.695 0.398 . . . . 0.77 111.557 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.09 -32.89 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.46 0.304 . . . . 0.5 110.979 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.59 -60.79 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 0.95 110.755 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -58.34 -32.48 68.56 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.628 0.974 . . . . 0.62 113.628 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.96 -41.6 82.2 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.393 0.516 . . . . 0.66 112.393 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -105.78 5.68 31.09 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.554 0.946 . . . . 0.95 113.554 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -71.98 -26.16 62.14 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 118.979 0.809 . . . . 3.17 110.858 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.6 m -67.15 -35.44 79.71 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.941 0.496 . . . . 1.37 110.781 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.71 -37.58 19.23 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.837 0.455 . . . . 1.55 110.592 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.27 73.88 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.848 0.684 . . . . 0.83 112.848 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.18 -14.47 59.45 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 112.744 0.646 . . . . 1.55 112.744 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.76 -37.03 85.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.683 0.623 . . . . 1.8 112.683 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.38 -170.85 1.83 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.024 0.529 . . . . 1.59 111.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.38 133.74 33.92 Favored Glycine 0 C--N 1.359 1.85 0 N-CA-C 114.861 0.704 . . . . 0.92 114.861 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 61.48 141.98 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.258 1.023 . . . . 2.6 113.043 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.32 -36.42 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.65 -0.705 . . . . 1.22 111.816 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -76.98 -16.97 59.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.313 0.857 . . . . 1.43 113.313 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.5 p -104.05 143.85 32.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.179 0.807 . . . . 1.09 113.179 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.11 148.6 22.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.656 0.782 . . . . 0.76 109.241 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -81.56 143.96 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 117.672 0.215 . . . . 0.68 111.088 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.13 -22.72 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 112.565 0.58 . . . . 0.64 112.565 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -93.32 -34.67 13.42 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.729 0.412 . . . . 0.82 111.622 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -75.0 -39.31 61.3 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.59 0.589 . . . . 1.54 112.59 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -33.63 76.04 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.796 0.271 . . . . 0.65 111.15 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -63.39 -35.79 81.58 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.241 0.338 . . . . 0.87 110.874 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.09 -32.08 71.26 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.501 0.32 . . . . 0.73 110.812 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.62 -30.94 71.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.941 0.497 . . . . 0.65 110.981 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG13 HD12 ' A' ' 50' ' ' LEU . 92.9 t -77.45 -32.54 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.845 0.458 . . . . 0.45 112.045 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.82 14.82 28.99 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.15 0.796 . . . . 0.8 113.15 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -141.52 -55.38 0.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.597 0.635 . . . . 1.1 112.653 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -106.74 -1.82 22.22 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.053 0.76 . . . . 0.84 113.053 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tp -144.23 46.77 0.67 Allowed Pre-proline 0 CA--C 1.562 1.41 0 CA-C-N 118.182 0.446 . . . . 0.67 112.081 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.54 -40.42 0.11 Allowed 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 122.183 1.922 . . . . 0.52 114.305 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -65.22 -25.69 67.8 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.234 0.457 . . . . 0.85 112.234 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -70.83 -56.0 7.28 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.642 0.377 . . . . 0.87 111.144 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 HG13 ' A' ' 42' ' ' VAL . 89.8 mt -98.21 106.0 18.23 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.603 0.564 . . . . 0.73 110.255 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -51.92 -37.13 51.47 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 112.999 0.74 . . . . 1.32 112.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -102.05 94.5 5.8 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 123.321 0.388 . . . . 2.08 110.372 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -85.63 -26.55 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 112.149 0.425 . . . . 0.71 112.149 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.62 -56.18 3.02 Favored Glycine 0 C--N 1.355 1.626 0 CA-C-O 119.666 -0.519 . . . . 0.83 112.804 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -83.39 76.12 9.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.167 0.508 . . . . 0.85 110.66 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.92 -5.77 37.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.42 -0.809 . . . . 1.22 110.714 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.56 -33.32 69.8 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.397 0.888 . . . . 0.77 113.397 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -56.86 -40.56 76.37 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.925 0.33 . . . . 1.09 111.275 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -93.54 -25.98 17.34 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.295 0.372 . . . . 1.55 111.032 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.4 ' HA ' HD12 ' A' ' 63' ' ' LEU . 40.6 ttp -67.84 -38.29 82.99 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.679 0.392 . . . . 0.84 111.575 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -64.42 -37.85 88.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.389 -0.226 . . . . 2.56 110.389 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -77.01 -35.5 56.99 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.61 0.364 . . . . 0.61 110.484 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 60' ' ' MET . 9.6 mt -57.75 -51.1 70.96 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.465 0.706 . . . . 0.68 110.978 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.3 70.09 5.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.554 -0.535 . . . . 1.39 109.554 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.9 p -90.49 -18.89 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 115.616 -0.72 . . . . 0.73 112.122 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -85.04 -20.82 29.85 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 111.976 0.361 . . . . 1.44 111.976 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 61.66 75.66 0.4 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.869 0.867 . . . . 1.96 111.398 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -150.17 18.03 0.86 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.017 -0.538 . . . . 1.41 112.204 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t 72.54 -54.6 0.69 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.273 1.029 . . . . 1.31 112.408 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.24 147.04 28.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 2.42 111.096 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.64 101.62 11.05 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.908 0.483 . . . . 0.95 110.966 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -65.16 171.7 3.54 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.055 -0.72 . . . . 1.89 109.055 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.84 -30.49 71.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.504 1.047 . . . . 1.2 111.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.64 -29.46 66.94 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 0.98 109.675 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.46 -39.08 23.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.097 0.559 . . . . 1.03 110.192 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -69.63 -18.96 63.63 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.507 0.723 . . . . 0.69 111.04 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -49.32 -29.5 6.14 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.151 1.38 . . . . 1.62 113.434 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -61.23 -38.49 86.84 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.724 0.41 . . . . 1.96 111.393 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.49 -27.02 32.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.207 0.317 . . . . 0.53 110.711 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.55 -39.35 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.727 0.411 . . . . 0.61 110.131 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.87 92.3 Favored Glycine 0 C--N 1.354 1.572 0 O-C-N 123.22 0.325 . . . . 0.47 112.516 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.38 -16.48 60.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.87 0.468 . . . . 0.86 112.011 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.07 -46.39 89.72 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.029 0.532 . . . . 0.67 111.386 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . . . -97.08 -13.5 22.16 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.475 0.546 . . . . 0.55 112.475 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -80.04 -30.8 39.5 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.481 0.312 . . . . 0.96 110.377 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.51 -9.49 41.16 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.338 0.496 . . . . 1.65 112.338 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -73.57 -39.37 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.659 0.663 . . . . 0.66 110.539 179.192 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -103.04 -39.59 6.83 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.349 0.5 . . . . 1.74 112.349 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -127.89 76.74 1.71 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.522 0.564 . . . . 1.52 112.522 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.22 -37.29 20.26 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.571 -0.286 . . . . 1.87 110.296 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -132.72 77.2 1.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.886 -1.153 . . . . 1.53 107.886 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -49.54 -38.91 32.74 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.347 1.24 . . . . 1.81 114.347 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.59 56.65 0.63 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.139 0.495 . . . . 1.24 111.077 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -164.0 -52.3 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.042 -0.526 . . . . 1.73 110.679 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.2 pt -132.08 123.82 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.215 0.606 . . . . 1.06 110.41 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -129.42 29.62 5.07 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.599 0.592 . . . . 2.26 112.599 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -154.75 85.63 1.11 Allowed 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.121 0.486 . . . . 1.74 111.238 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--N 1.351 0.651 0 CA-C-N 115.84 -0.618 . . . . 1.71 110.391 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 111.781 0.289 . . . . 1.75 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.39 146.13 23.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.729 0.412 . . . . 0.78 111.423 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.21 119.64 30.7 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 122.612 0.365 . . . . 0.69 110.776 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -114.74 141.27 26.5 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 122.845 0.458 . . . . 1.1 111.647 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.35 132.9 11.58 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.575 2.183 . . . . 0.83 112.832 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.88 -60.23 0.98 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.816 0.446 . . . . 1.24 111.262 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -119.65 164.77 15.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.485 0.714 . . . . 1.06 109.899 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -51.4 -54.01 30.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.975 0.731 . . . . 1.51 112.975 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.19 -35.93 80.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.056 0.391 . . . . 0.65 112.056 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.17 -37.08 75.08 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 110.335 -0.246 . . . . 0.95 110.335 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.56 -36.36 76.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.279 0.632 . . . . 0.85 111.252 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 -50.82 69.37 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.415 0.286 . . . . 0.56 111.564 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -78.68 -23.15 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 112.374 0.509 . . . . 0.53 112.374 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.61 -37.24 65.48 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.871 0.468 . . . . 1.0 110.767 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.52 0.328 . . . . 0.88 111.485 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.78 -34.36 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.516 0.326 . . . . 0.56 110.653 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.53 -59.04 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 122.931 0.492 . . . . 0.97 110.451 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -63.43 -19.34 64.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.774 1.398 . . . . 0.67 114.774 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.6 m -83.21 -40.78 19.2 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.75 0.704 . . . . 0.69 112.293 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -97.87 -21.91 16.64 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.201 0.815 . . . . 1.02 113.201 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' PHE . . . . . 0.556 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 3.0 m-85 -63.1 -18.22 63.16 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.325 0.861 . . . . 3.08 113.325 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -61.71 -33.98 74.98 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.229 0.468 . . . . 1.37 110.785 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.79 -24.09 12.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.108 0.563 . . . . 1.54 111.285 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' B' ' 21' ' ' PHE . . . -66.97 -21.64 65.96 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.345 0.869 . . . . 0.85 113.345 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -90.27 39.31 0.96 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.625 0.37 . . . . 1.73 111.177 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -114.43 -42.75 3.26 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.784 0.434 . . . . 1.68 111.946 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -115.52 102.24 9.62 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 112.782 0.66 . . . . 1.45 112.782 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 113.96 0.01 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 115.498 0.959 . . . . 0.86 115.498 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 57.6 151.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.355 1.062 . . . . 2.62 113.691 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -84.38 -33.93 23.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.739 -0.664 . . . . 1.11 112.103 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -99.97 43.65 1.05 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.485 0.55 . . . . 1.36 112.485 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 75.7 p -147.85 148.81 31.27 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 111.737 0.273 . . . . 1.13 111.737 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.79 136.17 37.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.077 0.551 . . . . 0.79 109.661 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t -74.37 157.89 34.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 111.893 0.331 . . . . 0.69 111.893 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.65 -33.2 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 116.075 -0.511 . . . . 0.71 112.127 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -88.91 -22.29 23.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.994 0.368 . . . . 0.83 111.994 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -84.11 -37.32 22.16 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.566 0.58 . . . . 1.61 112.566 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.89 -34.79 77.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.105 0.411 . . . . 0.66 110.984 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -59.43 -41.95 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.163 0.585 . . . . 0.81 110.745 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.02 -30.08 62.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.785 0.434 . . . . 0.69 111.168 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.01 -32.78 74.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.695 0.398 . . . . 0.68 110.935 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.64 -29.57 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 122.916 0.486 . . . . 0.48 110.892 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -106.08 41.88 1.34 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 122.912 0.485 . . . . 0.83 111.501 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -162.59 -59.99 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 O-C-N 122.276 -0.265 . . . . 0.98 111.401 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.69 -11.74 15.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.149 0.796 . . . . 0.73 113.149 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tp -134.31 44.89 1.31 Allowed Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 112.348 0.499 . . . . 0.62 112.348 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -85.03 -36.55 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 122.312 2.008 . . . . 0.48 115.642 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.28 -33.38 63.24 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.148 0.425 . . . . 0.81 112.148 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.84 -59.52 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.879 0.472 . . . . 0.88 111.199 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.35 111.01 23.46 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.004 -0.739 . . . . 0.7 109.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -28.93 66.73 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.096 0.776 . . . . 1.23 113.096 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.18 77.84 6.88 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 120.78 0.324 . . . . 1.94 110.697 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 m -88.4 -24.46 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 112.682 0.623 . . . . 0.6 112.682 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.81 -59.16 1.14 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-O 119.837 -0.424 . . . . 0.67 113.378 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.0 t -75.09 82.81 2.29 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.171 0.51 . . . . 0.92 111.476 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 -13.17 58.93 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.782 0.66 . . . . 1.24 112.782 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.39 -39.71 67.51 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.66 0.985 . . . . 0.73 113.66 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.9 -31.33 72.21 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.161 0.437 . . . . 1.1 111.249 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.11 47.25 1.22 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 122.808 0.443 . . . . 1.47 111.102 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttp -138.53 -49.98 0.55 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.454 0.302 . . . . 0.81 110.636 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -70.32 -34.03 72.21 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.071 0.232 . . . . 2.39 110.422 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -71.94 -31.9 66.79 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.685 0.394 . . . . 0.63 111.692 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.21 -60.7 2.12 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 110.154 -0.313 . . . . 0.69 110.154 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.28 71.2 10.54 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.313 0.578 . . . . 1.32 109.513 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -72.99 -29.61 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 115.608 -0.723 . . . . 0.72 112.066 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -75.08 -23.01 57.95 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.057 0.392 . . . . 1.38 112.057 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 65.61 74.81 0.36 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.442 0.697 . . . . 2.02 111.594 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.93 12.4 0.86 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 112.961 0.726 . . . . 1.3 112.961 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 62.5 m 58.6 24.79 12.43 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.217 0.821 . . . . 1.35 113.217 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -138.16 101.85 4.51 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.141 -0.688 . . . . 2.4 109.141 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.86 87.97 7.16 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.485 0.314 . . . . 1.13 111.837 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -67.15 174.94 2.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.903 -0.777 . . . . 1.81 108.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 3.2 t80 -66.57 -20.47 66.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.285 0.948 . . . . 1.23 111.447 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.91 -31.75 56.92 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.697 -0.483 . . . . 0.99 109.697 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.64 -48.08 9.85 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.905 0.482 . . . . 0.93 109.993 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.53 -21.08 66.58 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.592 0.757 . . . . 0.71 110.354 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -32.5 -49.07 0.2 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.224 1.81 . . . . 1.54 113.959 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.61 -36.32 71.61 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.758 0.651 . . . . 2.15 112.758 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -74.59 -39.52 62.15 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.341 -0.362 . . . . 0.49 111.259 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.54 -31.36 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 109.875 -0.417 . . . . 0.56 109.875 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.11 -40.21 88.31 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.681 -0.968 . . . . 0.42 110.681 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.8 -26.5 61.53 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 122.993 0.517 . . . . 0.91 111.174 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.01 -58.72 7.42 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.833 0.453 . . . . 0.69 110.87 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.43 -15.95 56.96 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.97 0.729 . . . . 0.55 112.97 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -84.14 -37.4 21.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.035 0.38 . . . . 1.1 110.541 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.56 26.13 6.43 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.774 0.657 . . . . 1.68 112.774 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.526 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.0 OUTLIER -93.33 -39.02 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.578 -0.897 . . . . 0.63 108.578 176.683 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -103.16 -33.46 9.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.18 0.592 . . . . 1.64 111.919 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -128.61 62.13 1.47 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.314 0.487 . . . . 1.65 112.314 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -73.61 -42.5 61.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 122.391 -0.193 . . . . 2.03 110.89 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -128.02 73.13 1.44 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.335 -0.617 . . . . 1.36 109.335 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.95 69.8 2.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.384 0.611 . . . . 1.72 111.072 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 tp -162.0 -53.23 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.493 -0.776 . . . . 1.27 110.968 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -100.55 -41.41 6.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.819 0.447 . . . . 1.61 111.209 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 pt -120.6 125.26 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.092 0.557 . . . . 1.04 110.208 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -142.19 36.15 1.53 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.431 0.53 . . . . 2.42 112.431 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -162.23 103.5 1.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.158 0.429 . . . . 1.86 112.158 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.227 -0.892 . . . . 1.85 110.383 178.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 112.704 0.631 . . . . 2.71 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 155.88 16.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.351 0.26 . . . . 1.02 111.469 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 118.29 36.37 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 122.803 0.441 . . . . 0.7 110.76 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.77 132.79 20.58 Favored Pre-proline 0 N--CA 1.477 0.903 0 CA-C-O 119.125 -0.464 . . . . 1.02 110.842 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -63.43 126.62 18.05 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.392 2.061 . . . . 0.74 112.374 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.3 mt -124.75 -154.64 0.63 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.18 0.592 . . . . 1.19 110.313 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -56.91 156.7 6.41 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.438 0.563 . . . . 0.98 111.595 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -36.64 -53.06 0.9 Allowed 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 114.667 1.358 . . . . 1.42 114.667 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.7 -43.29 76.35 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.104 0.411 . . . . 0.65 111.571 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.27 -31.25 71.95 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.268 0.355 . . . . 1.03 111.297 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -80.04 -25.31 40.21 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.986 0.515 . . . . 0.81 112.018 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.6 m -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 117.762 0.255 . . . . 0.63 110.569 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.76 -18.55 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.484 0.314 . . . . 0.56 111.535 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -72.8 -41.86 64.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.287 0.635 . . . . 1.0 110.845 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 m -59.19 -28.12 66.34 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 122.824 0.449 . . . . 0.77 111.597 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.86 -26.99 38.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.976 0.51 . . . . 0.5 111.184 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.26 40.38 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.319 0 C-N-CA 123.039 0.536 . . . . 0.95 110.913 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -149.05 -49.53 0.15 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.459 0.54 . . . . 0.62 112.459 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -62.99 -53.66 50.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.087 0.403 . . . . 0.66 112.087 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CD1' HD13 ' A' ' 41' ' ' LEU . 23.7 t80 -100.79 8.86 43.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.306 0.484 . . . . 0.95 112.306 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -68.38 -28.93 67.54 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.332 0.515 . . . . 3.17 111.101 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m -63.05 -39.7 95.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.616 0.367 . . . . 1.37 110.73 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.89 -26.88 33.77 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.442 0.297 . . . . 1.55 111.041 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.82 75.14 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.342 0.497 . . . . 0.83 112.342 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -81.84 -1.83 48.88 Favored 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 113.15 0.796 . . . . 1.55 113.15 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -65.05 -42.53 94.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.255 0.48 . . . . 1.8 111.102 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -94.11 -176.7 4.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.04 0.536 . . . . 1.59 110.484 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.38 151.2 8.03 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.304 0.482 . . . . 0.92 114.304 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 63.29 115.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.929 0.892 . . . . 2.6 111.252 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.66 -37.59 86.93 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.309 0.485 . . . . 1.22 112.309 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -94.49 30.74 1.91 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 111.922 0.341 . . . . 1.43 111.922 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 t -135.42 156.6 48.65 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 122.978 0.511 . . . . 1.09 111.148 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.16 151.9 25.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.854 0.462 . . . . 0.76 110.13 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -80.55 157.48 26.07 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 110.596 -0.149 . . . . 0.68 110.596 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -30.86 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 112.058 0.392 . . . . 0.64 112.058 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -90.56 -32.35 16.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.649 0.38 . . . . 0.82 111.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.62 -35.61 65.36 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.396 0.517 . . . . 1.54 112.396 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -35.89 82.44 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.851 0.296 . . . . 0.65 110.396 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -63.63 -39.4 94.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.847 0.459 . . . . 0.87 110.895 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.06 -32.54 73.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.516 0.326 . . . . 0.73 110.993 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 20' ' ' PHE . 28.8 tp -66.73 -31.61 72.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.585 0.354 . . . . 0.65 111.007 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -81.4 -21.7 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.733 0.413 . . . . 0.45 111.756 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -110.43 34.48 3.91 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 118.146 0.43 . . . . 0.8 112.108 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.27 -48.63 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.485 0.55 . . . . 1.1 112.485 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -110.14 -21.81 12.09 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.709 0.633 . . . . 0.84 112.709 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -128.8 40.62 0.62 Allowed Pre-proline 0 CA--C 1.565 1.544 0 N-CA-C 112.4 0.519 . . . . 0.67 112.4 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.76 -37.24 0.27 Allowed 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.054 1.836 . . . . 0.52 114.496 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -69.25 -27.21 65.25 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.216 0.45 . . . . 0.85 112.216 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 ' HG ' ' A' ' 83' ' ' LEU . 12.5 tp -68.2 -61.58 1.78 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.086 0.154 . . . . 0.87 110.9 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -84.84 113.79 21.62 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 108.695 -0.854 . . . . 0.73 108.695 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -34.26 51.89 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.312 0.856 . . . . 1.32 113.312 -178.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -106.86 116.89 32.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.748 0.419 . . . . 2.08 110.292 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.9 m -105.49 -34.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 112.393 0.516 . . . . 0.71 112.393 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.94 -53.87 5.58 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 120.002 -0.332 . . . . 0.83 113.292 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 t -88.26 74.84 8.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.169 0.509 . . . . 0.85 110.836 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -2.72 57.62 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.871 -0.604 . . . . 1.22 111.453 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.85 -23.24 66.14 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.426 0.899 . . . . 0.77 113.426 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.88 -42.36 97.51 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.03 0.377 . . . . 1.09 111.179 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.58 -27.02 17.62 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.377 0.423 . . . . 1.55 111.818 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.2 ttp -56.82 -34.4 67.69 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.375 0.509 . . . . 0.84 112.375 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.71 -39.39 93.57 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.533 0.333 . . . . 2.56 111.32 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -68.83 -32.98 73.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.433 0.293 . . . . 0.61 111.373 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 79' ' ' LEU . 54.6 mt -71.82 -54.97 8.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.57 0.348 . . . . 0.68 110.609 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.0 64.86 4.72 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.982 0.42 . . . . 1.39 110.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -89.81 -35.03 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.957 -0.565 . . . . 0.73 110.262 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.79 -33.19 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.747 0.419 . . . . 1.44 110.011 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 64.44 82.57 0.18 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.118 0.967 . . . . 1.96 111.94 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.49 18.88 0.93 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.849 -0.614 . . . . 1.41 111.846 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.9 t 58.79 25.58 13.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.707 0.803 . . . . 1.31 113.003 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -144.37 127.01 16.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.676 -0.491 . . . . 2.42 109.676 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -104.61 82.26 1.88 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.007 0.432 . . . . 0.95 110.883 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -68.18 156.82 36.75 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.757 -0.656 . . . . 1.89 109.61 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.39 -30.92 61.32 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.665 0.666 . . . . 1.2 112.059 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -67.56 -26.82 66.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 117.644 0.202 . . . . 0.98 110.952 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.29 -31.7 11.22 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.5 0.72 . . . . 1.03 111.194 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.518 ' HA ' HD22 ' A' ' 63' ' ' LEU . 68.1 t80 -82.78 -4.13 57.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.867 0.867 . . . . 0.69 112.385 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -17.94 64.97 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.113 0.415 . . . . 1.62 111.889 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.526 ' HB2' HD23 ' A' ' 63' ' ' LEU . 49.2 mmm-85 -64.29 -35.38 80.68 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 110.272 -0.27 . . . . 1.96 110.272 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 63' ' ' LEU . 7.8 tp -81.59 -36.61 28.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 109.851 -0.425 . . . . 0.53 109.851 178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mm -58.3 -41.69 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 122.725 0.41 . . . . 0.61 110.05 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.08 83.61 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 111.522 -0.631 . . . . 0.47 111.522 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.75 -21.44 61.02 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.304 0.642 . . . . 0.86 111.421 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' ' 49' ' ' LEU . 1.3 mp -66.5 -46.52 75.97 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.593 -0.521 . . . . 0.67 109.593 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -83.97 -12.21 55.65 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.926 -0.579 . . . . 0.55 111.954 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -89.18 -44.21 10.46 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 122.56 0.344 . . . . 0.96 110.567 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.2 51.41 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.118 0.485 . . . . 1.65 110.849 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.56 -42.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.536 0.734 . . . . 0.66 109.561 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.23 -29.49 9.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.044 0.537 . . . . 1.74 111.248 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -120.06 33.73 5.49 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.752 0.649 . . . . 1.52 112.752 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 122.027 -0.421 . . . . 1.87 110.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -142.23 57.84 1.46 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.944 -0.761 . . . . 1.53 108.944 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.63 -27.91 69.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.022 0.749 . . . . 1.81 113.022 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.93 -35.6 78.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 111.919 0.34 . . . . 1.24 111.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -96.54 -60.9 1.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.721 0.408 . . . . 1.73 111.415 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.72 145.69 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 122.855 0.462 . . . . 1.06 110.94 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -147.29 50.34 1.09 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.985 0.735 . . . . 2.26 112.985 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -172.34 120.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.63 0.372 . . . . 1.74 111.527 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.009 0.433 . . . . 1.71 110.659 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 CA--C 1.552 1.051 0 N-CA-C 111.953 0.353 . . . . 1.75 111.953 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.36 140.06 43.0 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 123.011 0.524 . . . . 0.78 110.946 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -79.31 133.31 36.62 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 111.44 0.163 . . . . 0.69 111.44 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -136.77 147.24 58.55 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 122.94 0.496 . . . . 1.1 111.632 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 142.05 70.69 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.729 2.286 . . . . 0.83 113.171 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -141.44 -51.49 0.43 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 111.879 0.326 . . . . 1.24 111.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -146.98 164.32 33.35 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.255 0.622 . . . . 1.06 109.964 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -51.69 -43.29 62.7 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.689 0.625 . . . . 1.51 112.689 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.53 -38.35 26.37 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.578 0.172 . . . . 0.65 111.278 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.08 -29.38 69.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.216 0.206 . . . . 0.95 110.671 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.33 -29.27 42.25 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.138 0.575 . . . . 0.85 110.695 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -57.25 -49.98 74.32 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.452 0.301 . . . . 0.56 111.526 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.486 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -76.4 -27.47 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 116.678 -0.237 . . . . 0.53 111.435 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.638 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 1.5 tm-20 -71.61 -36.86 70.94 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.956 0.503 . . . . 1.0 111.63 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -60.38 -33.43 72.45 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.626 0.37 . . . . 0.88 111.707 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -69.77 -29.86 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.306 0.242 . . . . 0.56 110.394 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.8 -49.81 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 122.794 0.437 . . . . 0.97 110.876 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -70.3 -43.08 71.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.784 1.031 . . . . 0.67 113.784 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -61.6 -31.28 71.34 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.026 0.75 . . . . 0.69 113.026 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -103.93 -13.93 16.17 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.507 0.928 . . . . 1.02 113.507 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' PHE . . . . . 0.47 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.4 OUTLIER -62.2 -24.65 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 118.934 0.788 . . . . 3.08 112.887 -179.468 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -55.65 -39.82 71.38 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.699 0.399 . . . . 1.37 111.669 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.16 -29.47 12.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.786 0.435 . . . . 1.54 111.581 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' B' ' 21' ' ' PHE . . . -57.28 -30.72 64.94 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.413 0.894 . . . . 0.85 113.413 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -79.34 -9.45 59.59 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 113.329 0.863 . . . . 1.73 113.329 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.73 -51.36 70.08 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.297 0.499 . . . . 1.68 111.842 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -83.17 177.39 8.58 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.341 0.256 . . . . 1.45 110.567 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.75 150.87 21.39 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 119.942 -0.366 . . . . 0.86 113.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 66.35 127.16 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.934 0.894 . . . . 2.62 111.359 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -70.54 -50.71 34.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.155 0.182 . . . . 1.11 111.309 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -87.44 68.3 9.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.837 0.351 . . . . 1.36 111.089 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -160.61 157.57 27.49 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.167 -0.47 . . . . 1.13 111.536 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.21 144.09 43.29 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.066 0.547 . . . . 0.79 109.632 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -85.47 158.97 20.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 121.927 0.091 . . . . 0.69 110.765 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -70.38 -35.07 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 112.491 0.552 . . . . 0.71 112.491 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -87.42 -25.07 23.97 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 111.988 0.366 . . . . 0.83 111.988 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -79.75 -42.83 23.72 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.76 0.652 . . . . 1.61 112.76 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -30.43 71.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 117.872 0.306 . . . . 0.66 110.74 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -69.94 -39.1 76.28 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.953 0.501 . . . . 0.81 110.81 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.86 -35.5 74.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.733 0.413 . . . . 0.69 111.392 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.58 -35.44 79.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.641 0.377 . . . . 0.68 111.253 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.26 -26.41 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 C-N-CA 123.037 0.535 . . . . 0.48 111.385 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -109.17 36.29 2.96 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.709 0.403 . . . . 0.83 111.621 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -159.57 -54.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 111.918 0.34 . . . . 0.98 111.918 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -114.65 -3.07 12.92 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 113.238 0.829 . . . . 0.73 113.238 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 1.7 tp -144.19 50.69 1.31 Allowed Pre-proline 0 CA--C 1.563 1.456 0 CA-C-N 118.538 0.608 . . . . 0.62 111.833 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 74.5 Cg_endo -88.09 -39.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.309 2.006 . . . . 0.48 115.679 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -70.14 -32.14 69.99 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.825 0.676 . . . . 0.81 112.825 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.4 -58.78 5.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.443 0.297 . . . . 0.88 111.603 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -86.48 116.78 24.84 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.321 -0.622 . . . . 0.7 109.321 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.63 -40.32 52.82 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.763 1.023 . . . . 1.23 113.763 -178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -110.23 118.97 37.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 117.821 0.282 . . . . 1.94 110.306 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.9 m -104.38 -31.51 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 112.28 0.474 . . . . 0.6 112.28 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.36 -41.92 11.06 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.795 -0.447 . . . . 0.67 113.196 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -94.17 87.87 5.42 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.963 0.381 . . . . 0.92 111.485 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.14 32.84 5.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.953 0.501 . . . . 1.24 110.644 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.5 -37.83 22.58 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.175 0.19 . . . . 0.73 111.276 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.24 -33.33 75.73 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.514 0.326 . . . . 1.1 111.277 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -84.16 -43.63 14.78 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.866 0.467 . . . . 1.47 111.718 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.5 ttp -55.98 -45.67 78.91 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 112.606 0.595 . . . . 0.81 112.606 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -66.03 -33.36 75.63 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.478 0.311 . . . . 2.39 111.191 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -74.88 -29.6 61.05 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.77 0.428 . . . . 0.63 110.909 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' B' ' 79' ' ' LEU . 54.1 mt -74.63 -63.7 1.19 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.869 0.468 . . . . 0.69 111.275 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.07 85.26 6.33 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.941 0.4 . . . . 1.32 110.47 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.48 -34.55 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 115.835 -0.62 . . . . 0.72 111.96 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.75 -24.98 61.86 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.317 0.488 . . . . 1.38 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 64.91 82.62 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.994 0.918 . . . . 2.02 112.19 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -146.9 15.66 1.21 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.218 -0.901 . . . . 1.3 111.859 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t 76.57 -50.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.233 1.013 . . . . 1.35 112.568 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -78.0 127.6 32.59 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.801 0.44 . . . . 2.4 111.088 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -92.07 88.44 6.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.337 0.255 . . . . 1.13 110.371 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -61.32 159.32 12.62 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.913 0.485 . . . . 1.81 110.474 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.11 -27.62 68.87 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.493 0.588 . . . . 1.23 111.727 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -20.3 63.36 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 110.099 -0.334 . . . . 0.99 110.099 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -102.78 -26.8 13.02 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.023 0.929 . . . . 0.93 111.346 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.641 ' HA ' HD22 ' B' ' 63' ' ' LEU . 74.6 t80 -83.1 -5.88 59.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.124 0.787 . . . . 0.71 113.124 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -15.96 60.07 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.878 0.763 . . . . 1.54 112.641 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.613 ' HB2' HD23 ' B' ' 63' ' ' LEU . 14.0 mmm-85 -65.8 -32.83 74.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.589 0.356 . . . . 2.15 110.866 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.705 ' HB2' HD21 ' B' ' 63' ' ' LEU . 6.1 tp -83.6 -35.43 24.68 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 119.481 -0.295 . . . . 0.49 110.976 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.2 mm -55.27 -35.47 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 109.89 -0.411 . . . . 0.56 109.89 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.56 -35.9 39.85 Favored Glycine 0 C--N 1.355 1.603 0 N-CA-C 111.803 -0.519 . . . . 0.42 111.803 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.96 -33.54 75.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.929 0.492 . . . . 0.91 110.685 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.36 -50.6 64.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.037 0.535 . . . . 0.69 110.213 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.94 66.39 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.462 0.542 . . . . 0.55 112.462 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 -37.09 20.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.771 0.429 . . . . 1.1 111.815 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.3 -2.47 49.17 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.71 1.004 . . . . 1.68 113.71 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.417 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -76.87 -41.47 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.48 0.582 . . . . 0.63 110.754 178.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -36.41 7.61 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.229 0.455 . . . . 1.64 112.229 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -129.71 76.71 1.74 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -95.32 -40.3 9.6 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.397 -0.594 . . . . 2.03 109.397 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -134.7 52.32 2.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.95 0.9 . . . . 1.36 108.654 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.6 -35.82 14.37 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.193 1.182 . . . . 1.72 114.193 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -73.97 -42.5 60.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.603 0.223 . . . . 1.27 111.603 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -75.69 -52.07 11.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.515 0.326 . . . . 1.61 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.7 pt -133.17 134.23 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.181 0.592 . . . . 1.04 110.728 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -135.8 43.15 2.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.569 0.348 . . . . 2.42 111.425 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.75 87.71 0.68 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.106 0.479 . . . . 1.86 111.783 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.1 tttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.172 -0.918 . . . . 1.85 110.325 179.186 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 113.143 0.794 . . . . 2.71 113.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.72 154.09 32.27 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 122.854 0.462 . . . . 1.02 111.391 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.28 27.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.315 -0.402 . . . . 0.7 111.213 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.77 142.45 25.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 123.017 0.527 . . . . 1.02 110.631 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.24 131.31 35.86 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.797 2.332 . . . . 0.74 113.69 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.0 mt -126.22 -157.8 0.82 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.185 0.594 . . . . 1.19 109.911 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -56.33 161.82 2.37 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.044 0.538 . . . . 0.98 111.539 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -48.19 -45.02 33.23 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 113.422 0.897 . . . . 1.42 113.422 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.9 -37.15 56.0 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 111.525 0.194 . . . . 0.65 111.525 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.18 -25.5 62.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.233 0.213 . . . . 1.03 110.731 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -83.99 -22.04 31.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.026 0.53 . . . . 0.81 111.524 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.8 m -56.84 -47.01 81.32 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 117.773 0.26 . . . . 0.63 110.796 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 14' ' ' GLU . 2.8 pp -76.33 -26.27 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.235 0.214 . . . . 0.56 111.041 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' HD12 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -70.03 -36.01 74.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.4 0.68 . . . . 1.0 112.123 179.194 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -55.84 -39.73 71.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.83 0.452 . . . . 0.77 112.201 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.93 -30.49 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.647 -0.131 . . . . 0.5 110.647 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.65 -6.32 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 122.995 0.518 . . . . 0.95 111.594 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -111.62 -22.05 11.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.157 0.799 . . . . 0.62 113.157 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -91.19 -57.79 2.67 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.86 0.689 . . . . 0.66 112.86 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -83.42 -12.09 56.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.534 0.938 . . . . 0.95 113.534 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.57 -18.8 64.41 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 118.522 0.601 . . . . 3.17 112.564 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -67.73 -32.34 72.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.665 0.386 . . . . 1.37 110.537 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -98.92 -33.16 10.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.169 0.588 . . . . 1.55 111.514 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.11 72.97 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.038 0.755 . . . . 0.83 113.038 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -73.08 -17.5 61.41 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.971 0.73 . . . . 1.55 112.971 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -56.35 -37.84 70.56 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.264 0.626 . . . . 1.8 112.104 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -131.7 129.66 40.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.767 0.427 . . . . 1.59 111.441 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.95 95.37 0.04 OUTLIER Glycine 0 C--N 1.355 1.639 0 CA-C-O 119.741 -0.477 . . . . 0.92 114.169 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.94 -178.11 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.492 0.717 . . . . 2.6 112.419 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -99.18 -33.07 10.91 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.948 0.499 . . . . 1.22 111.549 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.87 44.3 1.23 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.553 0.341 . . . . 1.43 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.9 t -147.56 139.67 24.32 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.826 0.306 . . . . 1.09 111.826 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -85.49 156.32 20.84 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.023 0.529 . . . . 0.76 110.343 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -93.95 156.01 16.84 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.348 0.259 . . . . 0.68 110.464 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.92 -24.18 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 112.427 0.528 . . . . 0.64 112.427 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -98.67 -26.92 14.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.959 0.355 . . . . 0.82 111.959 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -40.28 42.03 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.04 0.385 . . . . 1.54 112.04 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -34.67 76.83 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.88 0.309 . . . . 0.65 111.12 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -66.45 -38.09 86.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.873 0.469 . . . . 0.87 111.633 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.56 -31.06 70.87 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.292 0.37 . . . . 0.73 111.542 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 tp -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 0.65 111.39 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -73.85 -27.91 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 122.818 0.447 . . . . 0.45 110.917 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -104.34 33.22 3.61 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.537 0.335 . . . . 0.8 111.859 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.35 -61.88 0.07 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.327 0.492 . . . . 1.1 112.327 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -102.1 -5.52 24.39 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.252 0.834 . . . . 0.84 113.252 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -141.9 51.85 2.33 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 122.609 0.364 . . . . 0.67 111.41 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 88.2 Cg_endo -87.09 -40.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.128 1.886 . . . . 0.52 115.104 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -68.46 -31.29 70.48 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.663 0.616 . . . . 0.85 112.663 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 tp -65.62 -63.02 1.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 119.64 -0.219 . . . . 0.87 110.732 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.96 97.07 10.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.032 -0.729 . . . . 0.73 109.032 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -50.02 -33.79 19.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 113.307 0.855 . . . . 1.32 113.307 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.66 88.2 5.76 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.884 -0.413 . . . . 2.08 109.884 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.88 -27.34 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.28 0.474 . . . . 0.71 112.28 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.52 7.44 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-O 119.677 -0.513 . . . . 0.83 114.334 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.46 58.6 1.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.393 0.516 . . . . 0.85 112.393 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 63.47 4.48 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.149 0.5 . . . . 1.22 109.73 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.82 -38.62 4.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.848 -0.615 . . . . 0.77 111.506 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.77 -42.4 97.79 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.21 -0.292 . . . . 1.09 110.21 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.14 -42.15 76.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.905 -0.406 . . . . 1.55 109.905 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttp -56.16 -44.09 78.97 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.296 0.638 . . . . 0.84 111.566 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -36.0 78.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.736 0.414 . . . . 2.56 111.172 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -71.63 -34.42 69.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.224 0.61 . . . . 0.61 111.85 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.65 -64.33 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.227 0.211 . . . . 0.68 111.061 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.77 75.92 7.69 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.175 0.512 . . . . 1.39 110.128 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.93 -20.7 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 115.567 -0.742 . . . . 0.73 112.212 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -82.9 -25.7 32.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.696 0.399 . . . . 1.44 111.89 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 63.54 62.15 0.96 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.822 0.849 . . . . 1.96 111.515 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.41 15.11 6.09 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.559 -0.746 . . . . 1.41 111.412 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m 59.25 29.83 19.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 1.31 111.681 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -142.34 127.98 19.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.775 0.43 . . . . 2.42 111.008 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp -106.04 74.12 1.03 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.685 0.394 . . . . 0.95 110.326 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.49 162.96 22.08 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.057 -0.72 . . . . 1.89 109.057 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -24.99 33.88 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.402 0.89 . . . . 1.2 113.402 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.09 -33.57 67.98 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.287 0.494 . . . . 0.98 110.366 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.11 -43.6 11.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.216 0.606 . . . . 1.03 110.306 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.18 -20.21 66.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.615 0.766 . . . . 0.69 111.419 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -55.85 -25.36 41.71 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.608 0.763 . . . . 1.62 111.688 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -64.64 -34.09 77.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.395 0.278 . . . . 1.96 110.495 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.23 -32.65 49.9 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 109.826 -0.435 . . . . 0.53 109.826 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.29 -32.11 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.036 0.534 . . . . 0.61 111.121 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.64 84.6 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.293 -0.723 . . . . 0.47 111.293 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -73.84 -24.75 59.82 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.359 0.264 . . . . 0.86 110.396 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.98 -50.09 73.48 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.191 0.596 . . . . 0.67 110.849 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -81.98 -21.34 37.2 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.292 0.478 . . . . 0.55 112.292 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -79.99 -34.67 38.38 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.9 0.48 . . . . 0.96 111.756 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -88.53 13.72 11.4 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.101 0.778 . . . . 1.65 113.101 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -86.07 -46.72 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.547 0.612 . . . . 0.66 110.553 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.13 -38.17 8.25 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 119.255 -0.403 . . . . 1.74 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -116.92 61.42 0.73 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 121.001 0.429 . . . . 1.52 112.088 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -60.81 -34.94 75.29 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.769 -0.456 . . . . 1.87 109.769 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -160.72 69.6 0.37 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 108.156 -1.053 . . . . 1.53 108.156 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.05 -30.62 36.89 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.964 1.098 . . . . 1.81 113.964 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.08 -39.11 89.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 111.852 0.316 . . . . 1.24 111.852 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -89.41 -49.99 6.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.666 0.386 . . . . 1.73 111.081 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.66 125.44 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.082 0.553 . . . . 1.06 110.537 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -128.02 27.48 5.67 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.094 0.776 . . . . 2.26 113.094 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -161.76 97.21 1.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.849 0.357 . . . . 1.74 111.38 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.8 tttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 116.25 -0.432 . . . . 1.71 110.775 179.134 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 111.726 0.269 . . . . 1.75 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 121.57 43.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 122.957 0.503 . . . . 0.78 110.706 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -70.45 114.55 8.67 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.1 0.407 . . . . 0.69 112.1 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.4 138.63 19.78 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-O 119.037 -0.506 . . . . 1.1 110.37 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.23 133.78 60.14 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.937 2.425 . . . . 0.83 113.213 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -132.12 -146.91 0.3 Allowed 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 119.034 -0.507 . . . . 1.24 110.273 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -60.54 160.32 9.17 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.977 0.808 . . . . 1.06 111.299 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.34 -40.68 12.22 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.82 1.044 . . . . 1.51 113.82 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -77.3 -45.65 25.56 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.004 0.365 . . . . 0.65 111.445 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.75 -31.62 72.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.768 0.427 . . . . 0.95 111.085 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -73.5 -25.22 60.35 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.373 0.669 . . . . 0.85 111.391 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -60.2 -55.67 30.97 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.74 0.416 . . . . 0.56 111.021 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -71.08 -25.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 123.181 0.301 . . . . 0.53 111.285 178.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.473 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 8.4 tm-20 -67.41 -35.0 78.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.553 0.741 . . . . 1.0 111.397 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 59.7 m -62.41 -33.91 75.7 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.75 0.42 . . . . 0.88 111.669 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.28 -26.39 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.637 0.375 . . . . 0.56 111.48 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.27 12.03 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 122.743 0.417 . . . . 0.97 111.659 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -126.06 -45.45 1.71 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.168 0.587 . . . . 0.67 111.66 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -65.51 -43.51 89.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.645 0.378 . . . . 0.69 111.945 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.13 41.32 2.13 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.848 0.356 . . . . 1.02 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -97.14 -32.44 11.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.702 0.401 . . . . 3.08 111.07 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.1 m -66.41 -37.29 84.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.981 0.513 . . . . 1.37 111.811 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -82.52 -29.04 30.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 111.921 0.341 . . . . 1.54 111.921 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.64 77.46 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.345 0.498 . . . . 0.85 112.345 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -73.92 -22.13 59.8 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.805 1.039 . . . . 1.73 113.805 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -63.96 -27.5 69.18 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.38 0.881 . . . . 1.68 113.38 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -131.68 99.78 4.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.112 0.415 . . . . 1.45 111.766 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 109.85 0.2 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 114.373 0.509 . . . . 0.86 114.373 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.49 -176.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.706 1.002 . . . . 2.62 113.706 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -97.8 -52.91 3.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.992 0.517 . . . . 1.11 111.801 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.7 44.7 1.11 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.901 0.334 . . . . 1.36 111.901 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 91.1 p -147.38 127.36 13.63 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.407 0.283 . . . . 1.13 110.977 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -82.07 166.78 19.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.06 -0.518 . . . . 0.79 111.256 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -97.44 162.33 13.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.08 -0.341 . . . . 0.69 110.08 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.07 -25.95 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 112.484 0.55 . . . . 0.71 112.484 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -98.55 -27.95 13.8 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.46 0.541 . . . . 0.83 112.46 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.34 -30.31 53.84 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.685 0.624 . . . . 1.61 112.685 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -70.64 -36.78 73.61 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.283 0.492 . . . . 0.66 110.422 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -66.44 -35.43 80.27 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 122.67 0.388 . . . . 0.81 110.938 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.3 -33.78 76.51 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.243 -0.28 . . . . 0.69 110.243 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.37 -38.6 78.11 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 122.828 0.451 . . . . 0.68 110.349 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.38 -29.05 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.674 0.39 . . . . 0.48 111.47 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -102.47 25.49 8.97 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.274 0.472 . . . . 0.83 112.274 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -148.82 -58.13 0.22 Allowed 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.862 -0.524 . . . . 0.98 112.182 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -105.91 -15.49 14.9 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.281 0.845 . . . . 0.73 113.281 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 49.38 4.69 Favored Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 112.295 0.48 . . . . 0.62 112.295 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -85.94 -34.22 0.17 Allowed 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.582 2.188 . . . . 0.48 114.903 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -72.95 -31.49 64.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.599 0.592 . . . . 0.81 112.599 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.13 -56.27 8.17 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.028 0.131 . . . . 0.88 110.813 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -85.53 107.61 17.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.242 -0.651 . . . . 0.7 109.242 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -51.86 -34.92 42.9 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.007 1.114 . . . . 1.23 114.007 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -103.09 94.11 5.36 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.31 0.244 . . . . 1.94 111.543 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.82 -35.6 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 116.763 -0.199 . . . . 0.6 110.748 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.71 -45.09 5.58 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.391 0.432 . . . . 0.67 112.592 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -84.44 75.45 10.25 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 121.072 0.463 . . . . 0.92 110.594 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.39 -5.28 19.11 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.631 -0.713 . . . . 1.24 111.782 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.66 -31.86 73.1 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.905 0.705 . . . . 0.73 112.905 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.75 -37.46 86.42 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.483 0.313 . . . . 1.1 110.819 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -84.97 -47.09 10.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.525 0.33 . . . . 1.47 110.988 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -46.65 -47.07 20.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.404 0.89 . . . . 0.81 113.404 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -61.88 -35.6 78.79 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.724 0.238 . . . . 2.39 111.562 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.3 m -72.55 -28.12 62.64 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.064 0.228 . . . . 0.63 111.544 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.6 -57.86 3.81 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 110.16 -0.311 . . . . 0.69 110.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.19 84.6 7.42 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.402 0.438 . . . . 1.32 110.027 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -91.77 -28.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 115.592 -0.731 . . . . 0.72 112.099 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.74 -31.4 66.63 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.544 0.338 . . . . 1.38 111.3 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 66.9 75.1 0.32 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.909 0.884 . . . . 2.02 112.212 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -154.42 24.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.988 -0.551 . . . . 1.3 111.397 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t 54.49 38.89 30.54 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.444 0.698 . . . . 1.35 112.45 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -141.41 118.79 11.48 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.387 -0.37 . . . . 2.4 110.432 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.06 71.81 1.64 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.137 0.494 . . . . 1.13 110.292 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -66.46 158.54 29.25 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.799 -0.637 . . . . 1.81 109.594 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -51.42 -26.46 8.03 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.266 0.839 . . . . 1.23 113.266 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -75.81 -35.14 60.13 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 117.824 0.284 . . . . 0.99 110.347 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.96 -38.58 20.82 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.166 0.586 . . . . 0.93 110.432 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -73.88 -15.17 61.16 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.51 0.724 . . . . 0.71 110.933 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -53.68 -31.36 47.54 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.342 1.057 . . . . 1.54 112.848 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -65.48 -35.47 81.0 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.969 0.35 . . . . 2.15 111.408 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.42 -33.42 54.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 119.382 -0.342 . . . . 0.49 111.094 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.45 -36.29 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 110.25 -0.278 . . . . 0.56 110.25 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.99 71.8 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.98 -0.448 . . . . 0.42 111.98 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.34 -30.86 69.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.64 0.376 . . . . 0.91 110.524 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.59 -41.85 98.31 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.17 0.294 . . . . 0.69 110.363 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.84 52.23 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.089 0.774 . . . . 0.55 113.089 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -25.93 48.74 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.451 0.538 . . . . 1.1 112.451 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -96.57 13.33 28.51 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.433 0.901 . . . . 1.68 113.433 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.462 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.1 OUTLIER -86.17 -46.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 118.798 0.727 . . . . 0.63 111.117 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.99 -31.7 10.99 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 112.153 0.427 . . . . 1.64 112.153 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -127.34 61.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.544 0.572 . . . . 1.65 112.544 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -40.39 79.22 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 110.207 -0.294 . . . . 2.03 110.207 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -138.25 66.81 1.43 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 109.054 -0.721 . . . . 1.36 109.054 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.96 -31.07 49.44 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.488 1.292 . . . . 1.72 114.488 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 tp -77.9 -36.14 49.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.685 0.624 . . . . 1.27 112.685 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -88.61 -56.96 3.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.557 0.343 . . . . 1.61 111.215 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.02 131.14 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.207 0.603 . . . . 1.04 110.785 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -147.12 51.41 1.08 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.867 0.691 . . . . 2.42 112.867 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.27 34.24 0.28 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.244 0.461 . . . . 1.86 112.244 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.4 tttp . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.178 -0.915 . . . . 1.85 111.262 -179.408 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 112.331 0.493 . . . . 2.71 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.38 155.64 20.99 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.009 0.524 . . . . 1.02 111.492 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 135.63 37.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.267 -0.424 . . . . 0.7 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -124.03 142.04 38.66 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 122.851 0.461 . . . . 1.02 111.009 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.17 132.25 33.37 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.748 2.298 . . . . 0.74 113.15 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 mt -130.25 -135.19 0.21 Allowed 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.283 0.633 . . . . 1.19 109.505 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -62.68 164.52 7.61 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.102 0.865 . . . . 0.98 111.365 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.61 -41.5 63.73 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.026 0.75 . . . . 1.42 113.026 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.94 -38.72 64.17 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.725 0.239 . . . . 0.65 110.887 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 -29.73 64.63 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.05 0.54 . . . . 1.03 111.525 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -78.43 -21.61 48.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.824 0.449 . . . . 0.81 111.639 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -59.68 -55.58 32.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.824 0.449 . . . . 0.63 111.314 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.6 pp -75.08 -20.96 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 111.878 0.325 . . . . 0.56 111.878 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 13' ' ' ILE . 5.9 tm-20 -68.47 -31.58 70.97 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.072 0.549 . . . . 1.0 111.385 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -59.76 -39.34 84.48 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.902 0.481 . . . . 0.77 112.068 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.17 -26.89 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.201 0.2 . . . . 0.5 111.267 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.16 -13.51 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 112.427 0.529 . . . . 0.95 112.427 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.9 p -112.78 -12.15 13.39 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.265 0.839 . . . . 0.62 113.265 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -97.39 -59.78 1.71 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.357 0.526 . . . . 0.66 112.26 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' HD13 ' A' ' 41' ' ' LEU . 61.3 t80 -85.48 -36.39 20.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.997 0.74 . . . . 0.95 112.997 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -58.64 -23.02 58.28 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.874 0.694 . . . . 3.17 112.874 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -63.0 -31.39 72.51 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.591 0.356 . . . . 1.37 111.072 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.37 -31.89 12.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.105 0.562 . . . . 1.55 111.727 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 0.59 35.17 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.151 1.167 . . . . 0.83 114.151 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -82.5 -13.85 55.98 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 113.154 0.798 . . . . 1.55 113.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -73.48 -41.22 63.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.326 0.862 . . . . 1.8 113.326 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -99.06 111.26 23.7 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.589 0.589 . . . . 1.59 112.589 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.71 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.849 1.1 . . . . 0.92 115.849 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 61.82 156.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.618 0.97 . . . . 2.6 113.618 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.17 -34.04 22.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.871 0.468 . . . . 1.22 111.355 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -101.42 50.13 0.86 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.831 0.452 . . . . 1.43 110.265 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 t -155.77 141.05 17.58 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.278 -0.419 . . . . 1.09 111.536 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.32 149.27 21.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.388 0.675 . . . . 0.76 110.289 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -88.04 151.45 22.74 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.503 0.186 . . . . 0.68 111.503 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.4 -29.54 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 112.942 0.719 . . . . 0.64 112.942 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -96.29 -33.04 12.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.052 0.389 . . . . 0.82 112.052 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.24 -41.67 69.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.174 0.435 . . . . 1.54 112.174 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -34.83 79.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.737 0.244 . . . . 0.65 110.962 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -64.73 -41.96 95.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.02 0.528 . . . . 0.87 111.047 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.2 -27.98 64.93 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.215 0.322 . . . . 0.73 111.65 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 20' ' ' PHE . 24.3 tp -67.79 -37.39 81.97 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.666 0.386 . . . . 0.65 111.271 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.02 -26.79 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.55 0.34 . . . . 0.45 111.707 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -104.65 21.99 15.86 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.416 0.524 . . . . 0.8 112.416 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -139.81 -62.42 0.52 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.307 0.503 . . . . 1.1 111.766 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -106.17 1.16 25.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.851 0.686 . . . . 0.84 112.851 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.84 45.04 0.64 Allowed Pre-proline 0 CA--C 1.562 1.415 0 N-CA-C 112.02 0.378 . . . . 0.67 112.02 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.22 -36.22 0.3 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.065 1.843 . . . . 0.52 114.377 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -72.23 -35.34 68.82 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.645 0.378 . . . . 0.85 111.949 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.46 -57.25 9.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.551 0.34 . . . . 0.87 110.747 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -102.4 95.85 6.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.589 -0.893 . . . . 0.73 108.589 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -56.49 -28.83 60.82 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.131 0.789 . . . . 1.32 113.131 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -84.61 85.68 7.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.392 0.277 . . . . 2.08 111.303 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.0 -37.35 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.186 -0.461 . . . . 0.71 110.376 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.09 -30.19 23.52 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 112.029 -0.429 . . . . 0.83 112.029 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -95.81 50.94 1.23 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.033 0.533 . . . . 0.85 110.32 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -88.74 -21.16 23.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.974 0.51 . . . . 1.22 111.102 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -53.1 -34.09 55.1 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.886 0.698 . . . . 0.77 112.886 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.04 -40.46 96.35 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.162 0.185 . . . . 1.09 110.888 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -77.59 -40.71 41.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.837 0.455 . . . . 1.55 111.097 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -57.53 -38.85 75.36 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 0.84 111.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -61.99 -35.31 78.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.574 0.35 . . . . 2.56 111.762 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -75.2 -29.73 60.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.747 0.419 . . . . 0.61 111.839 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.61 HD22 ' HA ' ' A' ' 76' ' ' TYR . 47.7 mt -73.51 -53.47 10.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.387 0.275 . . . . 0.68 111.086 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.45 78.6 4.91 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.957 0.408 . . . . 1.39 111.137 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.56 -36.91 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 115.884 -0.598 . . . . 0.73 110.796 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.12 -29.8 64.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.992 0.517 . . . . 1.44 110.977 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.34 71.54 0.53 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.307 1.043 . . . . 1.96 111.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -142.83 15.77 1.95 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.747 -0.66 . . . . 1.41 111.77 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t 60.33 28.18 17.78 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.643 0.777 . . . . 1.31 112.286 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -140.56 131.52 26.12 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.952 0.501 . . . . 2.42 110.186 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mp -108.63 86.51 2.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.546 0.202 . . . . 0.95 111.546 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -69.66 172.69 7.07 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.012 -0.736 . . . . 1.89 109.012 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' B' ' 84' ' ' ALA . 1.0 OUTLIER -69.7 -24.86 63.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.451 0.568 . . . . 1.2 111.773 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -71.77 -29.41 64.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 109.561 -0.533 . . . . 0.98 109.561 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -89.32 -42.04 11.8 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.708 0.803 . . . . 1.03 110.415 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.61 ' HA ' HD22 ' A' ' 63' ' ' LEU . 51.6 t80 -72.19 -11.4 60.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.528 0.731 . . . . 0.69 111.954 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -26.47 13.74 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.846 0.859 . . . . 1.62 113.082 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HB2' HD23 ' A' ' 63' ' ' LEU . 51.3 mmm-85 -68.17 -38.61 82.25 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.077 0.399 . . . . 1.96 111.497 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' A' ' 63' ' ' LEU . 11.9 tp -80.83 -23.24 39.31 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 119.801 -0.142 . . . . 0.53 110.838 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.0 mm -67.1 -37.54 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.663 -0.495 . . . . 0.61 109.663 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.05 -39.29 73.73 Favored Glycine 0 C--N 1.354 1.553 0 N-CA-C 111.408 -0.677 . . . . 0.47 111.408 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.71 -16.26 61.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.575 0.35 . . . . 0.86 110.963 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.91 -52.1 58.26 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.263 0.625 . . . . 0.67 110.66 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.636 ' HB2' ' HB ' ' B' ' 13' ' ' ILE . . . -88.53 -8.63 54.47 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.358 0.503 . . . . 0.55 112.358 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.63 -37.26 19.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.413 0.285 . . . . 0.96 110.455 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -86.01 12.01 10.36 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.266 0.839 . . . . 1.65 113.266 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -101.51 -39.69 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 118.299 0.5 . . . . 0.66 109.904 178.383 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -101.42 -36.14 8.95 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.759 0.424 . . . . 1.74 111.781 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -130.98 75.25 1.65 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.09 0.471 . . . . 1.52 111.885 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -98.31 -53.41 3.36 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.041 -0.527 . . . . 1.87 110.049 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -113.72 51.75 0.84 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.287 -0.634 . . . . 1.53 109.287 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.11 73.94 1.74 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.441 0.639 . . . . 1.81 112.182 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -165.44 -50.99 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.525 -0.761 . . . . 1.24 110.287 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -100.7 -51.11 3.67 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.184 0.594 . . . . 1.73 110.543 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.3 pt -120.49 116.42 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.354 0.409 . . . . 1.06 110.81 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -135.71 63.64 1.59 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.898 0.38 . . . . 2.26 111.639 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -165.86 86.68 0.36 Allowed 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 116.148 -0.478 . . . . 1.74 111.804 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 115.967 -0.56 . . . . 1.71 110.274 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.05 0.389 . . . . 1.75 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 152.47 19.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.36 0.264 . . . . 0.78 111.485 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.56 121.0 27.64 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.177 -0.465 . . . . 0.69 111.981 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -105.13 141.13 21.93 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-O 119.071 -0.49 . . . . 1.1 110.332 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 140.9 94.73 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.078 2.519 . . . . 0.83 114.657 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.1 mt -136.23 -160.26 1.04 Allowed 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.427 0.691 . . . . 1.24 110.215 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -58.78 161.07 5.09 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 118.802 0.728 . . . . 1.06 111.384 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.42 -49.34 7.15 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.566 0.95 . . . . 1.51 113.566 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.56 -40.09 73.56 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 117.921 0.328 . . . . 0.65 111.449 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.94 -24.73 62.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.779 0.432 . . . . 0.95 111.532 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -87.18 -10.09 53.55 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.001 0.52 . . . . 0.85 112.387 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -60.51 -47.57 85.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.949 0.34 . . . . 0.56 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 84' ' ' ALA . 2.4 pp -85.21 -21.88 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 122.33 0.252 . . . . 0.53 111.202 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.564 ' N ' HD12 ' B' ' 13' ' ' ILE . 9.9 tm-20 -65.44 -40.04 92.8 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.232 0.613 . . . . 1.0 110.418 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -66.51 -31.67 72.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.723 0.409 . . . . 0.88 111.621 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.57 -36.29 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.359 0.264 . . . . 0.56 110.474 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -71.73 -50.75 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 122.407 0.283 . . . . 0.97 110.693 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.3 p -58.07 -37.24 74.06 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.18 1.178 . . . . 0.67 114.18 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -72.94 -31.93 64.93 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.558 0.948 . . . . 0.69 113.558 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -115.37 -3.7 12.42 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.59 1.33 . . . . 1.02 114.59 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -66.06 -36.15 82.44 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.774 1.17 . . . . 3.08 111.838 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -63.96 -35.28 80.17 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.297 0.239 . . . . 1.37 111.01 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -85.9 -25.34 26.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.79 0.436 . . . . 1.54 110.893 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.43 -20.7 62.08 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.969 0.508 . . . . 0.85 112.239 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -91.92 25.34 2.83 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.151 0.426 . . . . 1.73 112.151 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -87.07 -35.04 18.94 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.719 0.407 . . . . 1.68 110.844 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.92 -159.52 0.68 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.196 0.599 . . . . 1.45 110.35 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 145.39 46.25 Favored Glycine 0 C--N 1.358 1.776 0 CA-C-N 118.284 0.493 . . . . 0.86 114.223 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? 60.7 126.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.394 1.078 . . . . 2.62 112.534 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.34 -42.26 68.75 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.328 -0.397 . . . . 1.11 111.088 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.66 53.01 2.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.788 -0.449 . . . . 1.36 109.788 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -156.6 143.15 18.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 116.49 -0.323 . . . . 1.13 111.575 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.63 169.22 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.527 0.517 . . . . 0.79 110.387 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -105.61 159.84 15.65 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.573 0.349 . . . . 0.69 111.009 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.72 -25.51 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 N-CA-C 112.103 0.408 . . . . 0.71 112.103 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.97 -35.27 11.48 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.091 0.404 . . . . 0.83 112.091 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.83 -41.43 64.87 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.486 0.55 . . . . 1.61 112.486 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -33.12 74.88 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.928 0.331 . . . . 0.66 111.259 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -68.63 -36.79 79.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.77 0.428 . . . . 0.81 110.628 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.06 -30.77 55.71 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.667 0.387 . . . . 0.69 111.67 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.87 -34.92 79.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.668 0.387 . . . . 0.68 110.988 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.44 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 76.1 t -77.2 -25.32 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 122.914 0.485 . . . . 0.48 111.431 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 -6.72 55.28 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 113.308 0.855 . . . . 0.83 113.308 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -127.62 -51.46 1.37 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.99 0.737 . . . . 0.98 112.99 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -102.39 -8.35 21.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.146 1.165 . . . . 0.73 114.146 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.6 OUTLIER -142.29 48.32 1.07 Allowed Pre-proline 0 CA--C 1.562 1.424 0 CA-C-N 118.877 0.762 . . . . 0.62 111.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -84.53 -29.62 0.77 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.109 1.873 . . . . 0.48 114.905 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -75.22 -21.01 58.95 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.871 0.693 . . . . 0.81 112.871 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.49 -52.53 9.62 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.692 0.223 . . . . 0.88 111.052 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.6 107.45 19.9 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.916 -0.772 . . . . 0.7 108.916 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.71 66.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.332 0.864 . . . . 1.23 113.332 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -95.46 83.94 3.9 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.926 -0.398 . . . . 1.94 109.926 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -71.33 -28.92 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.177 -0.465 . . . . 0.6 112.038 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.69 -40.06 7.37 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.47 -0.628 . . . . 0.67 113.498 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -87.69 83.37 7.19 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.815 0.808 . . . . 0.92 111.215 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.1 7.51 19.69 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.612 -0.722 . . . . 1.24 110.802 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.48 -28.95 65.39 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.613 0.597 . . . . 0.73 112.613 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.21 -41.46 81.28 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.227 0.211 . . . . 1.1 111.27 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.1 -41.73 27.97 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.563 0.345 . . . . 1.47 110.945 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.1 ttp -51.88 -35.84 46.56 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.92 0.711 . . . . 0.81 112.92 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -67.57 -44.98 76.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.481 0.178 . . . . 2.39 111.481 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -72.27 -34.18 68.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.46 0.304 . . . . 0.63 111.76 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.455 ' HB3' HD23 ' B' ' 71' ' ' LEU . 28.2 mt -68.52 -55.94 10.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.176 0.191 . . . . 0.69 110.712 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.39 57.64 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.094 0.473 . . . . 1.32 110.202 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -80.65 -29.04 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 116.097 -0.502 . . . . 0.72 111.822 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -68.29 -25.08 64.96 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.026 0.53 . . . . 1.38 111.184 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 64.53 87.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.354 1.062 . . . . 2.02 112.404 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.2 35.31 0.2 Allowed 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.943 -0.571 . . . . 1.3 111.342 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m 63.21 -74.55 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.297 1.039 . . . . 1.35 113.343 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.03 142.2 45.75 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.114 0.415 . . . . 2.4 112.014 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' B' ' 63' ' ' LEU . 7.1 mp -99.94 99.68 10.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.054 -0.521 . . . . 1.13 110.766 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -67.01 175.92 2.33 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.74 -0.647 . . . . 1.81 109.295 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 84' ' ' ALA . 5.2 t80 -65.35 -25.0 67.39 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.717 1.144 . . . . 1.23 111.83 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -70.49 -34.88 72.86 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.256 -0.646 . . . . 0.99 109.256 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.03 -39.85 22.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 0.93 109.602 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.429 ' CE2' HD11 ' B' ' 80' ' ' ILE . 45.5 t80 -88.66 62.17 6.37 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.811 -1.181 . . . . 0.71 107.811 177.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -113.46 -46.37 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.365 1.066 . . . . 1.54 110.931 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -63.47 -29.37 70.66 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.98 0.733 . . . . 2.15 112.98 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -78.68 -28.72 45.3 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.012 0.369 . . . . 0.49 111.099 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.429 HD11 ' CE2' ' B' ' 76' ' ' TYR . 37.4 mm -68.72 -37.46 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.783 -0.821 . . . . 0.56 108.783 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.13 -42.01 78.17 Favored Glycine 0 C--N 1.357 1.735 0 N-CA-C 111.032 -0.827 . . . . 0.42 111.032 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.29 -26.89 64.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.89 0.476 . . . . 0.91 110.634 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.58 -51.29 70.07 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.17 0.588 . . . . 0.69 110.95 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -86.59 -15.59 39.36 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.559 0.577 . . . . 0.55 112.559 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -79.82 -44.12 21.14 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.124 0.42 . . . . 1.1 110.79 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.65 -26.38 61.63 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.207 0.447 . . . . 1.68 112.207 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -37.94 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 122.787 0.435 . . . . 0.63 111.954 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -107.68 -40.8 5.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.433 0.531 . . . . 1.64 112.433 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -124.81 69.86 1.12 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.473 0.545 . . . . 1.65 112.473 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -82.75 -41.28 19.42 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.193 -0.458 . . . . 2.03 110.505 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -139.05 63.41 1.51 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.962 -0.755 . . . . 1.36 108.962 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.76 76.41 3.39 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.229 -0.896 . . . . 1.72 113.235 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 tp -159.9 -53.07 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.695 -0.684 . . . . 1.27 110.088 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -92.91 -44.34 8.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.135 0.574 . . . . 1.61 110.095 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 pt -126.35 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.953 0.501 . . . . 1.04 110.929 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -162.57 57.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.581 0.353 . . . . 2.42 111.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -163.02 52.04 0.17 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.144 0.424 . . . . 1.86 112.144 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 40.0 tttp . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.228 -0.892 . . . . 1.85 110.245 179.322 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptt? . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.503 0.668 . . . . 2.71 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.52 135.21 18.61 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.234 -0.893 . . . . 1.02 110.174 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 108.51 19.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.071 0.148 . . . . 0.7 110.906 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.45 139.71 21.38 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 122.817 0.447 . . . . 1.02 110.892 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 134.52 46.22 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.636 2.224 . . . . 0.74 113.276 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.7 mt -134.34 -137.32 0.17 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 118.826 -0.607 . . . . 1.19 109.761 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 167.95 2.7 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 119.277 0.944 . . . . 0.98 111.392 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.48 -44.3 68.89 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.066 0.765 . . . . 1.42 113.066 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -76.34 -36.0 58.47 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.632 0.197 . . . . 0.65 111.292 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -73.77 -30.15 62.61 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.617 0.367 . . . . 1.03 111.0 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.88 -29.21 58.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.884 0.474 . . . . 0.81 110.491 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -62.47 -50.01 73.14 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 122.548 0.339 . . . . 0.63 110.531 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -72.59 -16.69 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 112.037 0.384 . . . . 0.56 112.037 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -80.95 -42.27 21.54 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.336 0.654 . . . . 1.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -59.57 -35.5 74.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.932 0.493 . . . . 0.77 112.082 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.07 -30.13 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 110.148 -0.316 . . . . 0.5 110.148 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -78.31 -64.69 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 122.807 0.443 . . . . 0.95 111.209 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -54.17 -35.76 62.65 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 115.144 1.535 . . . . 0.62 115.144 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -67.33 -42.37 83.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 113.688 0.996 . . . . 0.66 113.688 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -106.81 -19.59 13.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.21 1.189 . . . . 0.95 114.21 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.64 -20.5 65.34 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.296 0.953 . . . . 3.17 112.556 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.7 m -64.75 -35.15 80.15 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 118.181 0.446 . . . . 1.37 110.972 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -99.08 -24.66 14.81 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.173 0.589 . . . . 1.55 112.047 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.71 -23.48 42.32 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 113.147 0.795 . . . . 0.83 113.147 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.74 -17.5 64.06 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.55 0.944 . . . . 1.55 113.55 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -28.21 66.65 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.35 0.87 . . . . 1.8 113.35 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -118.74 127.18 53.31 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.751 0.649 . . . . 1.59 112.751 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.22 95.59 0.01 OUTLIER Glycine 0 C--N 1.357 1.75 0 N-CA-C 114.704 0.642 . . . . 0.92 114.704 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 60.62 169.77 0.09 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.44 0.696 . . . . 2.6 111.875 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -83.01 -59.33 2.52 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.496 -0.32 . . . . 1.22 111.428 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.14 67.19 5.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.988 0.423 . . . . 1.43 110.952 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -159.79 131.27 6.06 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.846 -0.616 . . . . 1.09 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.91 156.59 24.7 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.33 -0.248 . . . . 0.76 110.33 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -96.78 151.47 19.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.457 -0.201 . . . . 0.68 110.457 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.62 -27.94 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 112.695 0.628 . . . . 0.64 112.695 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -96.95 -33.93 11.4 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.409 0.522 . . . . 0.82 112.409 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.1 -41.96 73.34 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.188 0.44 . . . . 1.54 112.188 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -32.98 74.64 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.539 0.154 . . . . 0.65 110.938 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.06 -37.91 81.26 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.133 0.573 . . . . 0.87 111.623 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.35 -32.53 66.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.21 0.204 . . . . 0.73 111.303 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.7 -39.92 94.48 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.839 0.455 . . . . 0.65 111.914 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.35 -27.66 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 111.994 0.368 . . . . 0.45 111.994 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -102.27 21.16 15.49 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 112.158 0.429 . . . . 0.8 112.158 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -147.65 -57.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.796 -0.565 . . . . 1.1 112.461 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.18 -12.85 18.43 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.822 0.675 . . . . 0.84 112.822 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.37 48.41 1.91 Allowed Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 118.171 0.441 . . . . 0.67 111.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.91 -29.1 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.066 1.844 . . . . 0.52 114.391 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.57 -20.71 53.62 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.665 0.617 . . . . 0.85 112.665 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -73.74 -56.3 5.16 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 117.918 0.326 . . . . 0.87 110.789 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -91.1 114.77 27.38 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.836 -0.802 . . . . 0.73 108.836 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 -34.35 67.91 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.697 0.999 . . . . 1.32 113.697 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.05 89.09 3.03 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 120.936 0.398 . . . . 2.08 110.361 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.05 -28.97 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.081 -0.508 . . . . 0.71 111.837 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.58 -57.78 4.08 Favored Glycine 0 C--N 1.351 1.379 0 O-C-N 123.213 0.32 . . . . 0.83 113.048 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -85.64 88.08 7.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.766 0.317 . . . . 0.85 111.218 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.71 3.69 21.17 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.142 -0.481 . . . . 1.22 111.462 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.19 -29.02 66.92 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 112.773 0.657 . . . . 0.77 112.773 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.82 -40.01 93.8 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.683 0.22 . . . . 1.09 110.871 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -87.81 -34.85 18.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.496 0.319 . . . . 1.55 110.751 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.6 ttp -57.67 -36.96 72.61 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.547 0.339 . . . . 0.84 111.429 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -65.81 -33.5 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 122.887 0.117 . . . . 2.56 110.709 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.0 m -75.48 -28.62 59.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.408 0.283 . . . . 0.61 110.541 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 79' ' ' LEU . 72.2 mt -73.21 -61.67 1.74 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 122.414 0.286 . . . . 0.68 110.389 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -83.9 70.86 10.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.213 0.53 . . . . 1.39 109.903 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.29 -19.34 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.427 -0.806 . . . . 0.73 111.82 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -84.87 -14.38 48.03 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.248 0.462 . . . . 1.44 112.248 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 59.11 51.53 6.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.437 0.695 . . . . 1.96 111.482 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.44 2.24 12.42 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.734 -0.666 . . . . 1.41 112.078 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 t 64.02 25.97 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.385 0.674 . . . . 1.31 111.632 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -140.52 126.9 19.96 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.092 0.557 . . . . 2.42 110.0 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mp -98.47 69.76 1.93 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.991 0.424 . . . . 0.95 110.058 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -65.65 159.17 25.47 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.849 -0.614 . . . . 1.89 109.731 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.81 -30.59 61.62 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.145 1.165 . . . . 1.2 114.145 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -70.2 -32.85 70.95 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.071 0.396 . . . . 0.98 110.183 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.3 -35.17 15.42 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.379 0.672 . . . . 1.03 110.856 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.625 ' HA ' HD22 ' A' ' 63' ' ' LEU . 75.8 t80 -78.99 -2.33 39.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.264 1.025 . . . . 0.69 112.537 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.23 66.54 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.564 0.579 . . . . 1.62 112.564 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.568 ' HB2' HD23 ' A' ' 63' ' ' LEU . 23.4 mmm-85 -66.3 -31.9 72.99 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.002 0.364 . . . . 1.96 111.442 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.693 ' HB2' HD21 ' A' ' 63' ' ' LEU . 13.3 tp -81.69 -29.22 33.12 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 119.521 -0.275 . . . . 0.53 110.286 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.59 -38.78 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 109.396 -0.594 . . . . 0.61 109.396 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.83 88.94 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 111.551 -0.62 . . . . 0.47 111.551 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -76.76 -23.28 52.95 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 122.637 0.375 . . . . 0.86 110.657 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.06 -52.33 59.87 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.861 0.464 . . . . 0.67 110.243 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -75.06 -32.08 61.42 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.53 0.567 . . . . 0.55 112.53 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -75.17 -25.29 58.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.28 0.474 . . . . 0.96 112.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -99.47 33.41 2.48 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -39.86 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 122.448 0.299 . . . . 0.66 110.417 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.87 -28.06 10.85 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.244 0.461 . . . . 1.74 112.244 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -131.04 45.42 2.82 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.288 0.477 . . . . 1.52 112.288 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.02 89.53 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 122.218 -0.301 . . . . 1.87 111.611 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -127.29 67.42 1.29 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.321 -0.622 . . . . 1.53 109.321 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.99 76.52 1.69 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.175 0.512 . . . . 1.81 111.208 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -167.99 -52.25 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.885 -0.598 . . . . 1.24 110.659 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -100.27 -50.01 4.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.999 0.52 . . . . 1.73 110.806 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.2 pt -107.28 141.04 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 122.813 0.445 . . . . 1.06 111.177 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.77 38.26 0.37 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.622 0.601 . . . . 2.26 112.622 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -161.55 94.03 0.95 Allowed 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 120.878 0.371 . . . . 1.74 110.901 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 122.985 0.514 . . . . 1.71 110.741 -179.422 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 111.953 0.353 . . . . 1.75 111.953 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.94 146.92 46.13 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.12 0.568 . . . . 0.78 110.738 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.58 126.01 44.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.753 0.421 . . . . 0.69 111.135 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -118.62 145.2 36.99 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 122.965 0.506 . . . . 1.1 111.198 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -76.56 127.21 9.49 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.357 2.038 . . . . 0.83 111.393 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.3 mt -126.08 -60.37 1.28 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.723 0.409 . . . . 1.24 111.476 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -122.35 161.56 23.18 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.299 0.64 . . . . 1.06 109.862 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.44 -30.78 67.19 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.926 0.713 . . . . 1.51 112.926 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -83.55 -36.06 24.29 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 117.809 0.277 . . . . 0.65 110.997 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.46 -30.4 61.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.568 0.347 . . . . 0.95 110.976 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.41 -29.8 68.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.116 0.566 . . . . 0.85 111.234 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -59.31 -56.76 17.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.87 0.468 . . . . 0.56 111.052 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.468 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -68.69 -27.78 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 123.08 0.237 . . . . 0.53 111.429 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.468 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.7 tm-20 -68.4 -39.24 81.74 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.646 0.379 . . . . 1.0 111.413 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -60.06 -37.73 80.73 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.598 0.359 . . . . 0.88 111.203 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 51.4 t -75.21 -31.39 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 122.532 0.333 . . . . 0.56 110.235 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.402 ' O ' HG12 ' B' ' 17' ' ' VAL . 76.4 t -84.29 -1.14 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.417 0 C-N-CA 123.275 0.63 . . . . 0.97 112.097 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.2 p -119.34 -40.13 2.83 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.452 0.538 . . . . 0.67 112.452 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -72.43 -52.1 17.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.431 0.53 . . . . 0.69 112.431 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -81.97 -27.29 33.29 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.808 0.669 . . . . 1.02 112.808 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.5 -22.35 66.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.27 0.471 . . . . 3.08 112.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.3 m -64.63 -29.36 70.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.645 0.378 . . . . 1.37 110.414 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -95.95 -32.67 12.5 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.286 0.634 . . . . 1.54 111.358 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -23.74 63.82 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.037 0.754 . . . . 0.85 113.037 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -66.95 -25.72 66.48 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.076 0.769 . . . . 1.73 113.076 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -48.71 -41.94 33.44 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.363 0.665 . . . . 1.68 112.436 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -91.22 177.28 6.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.721 0.408 . . . . 1.45 110.585 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.5 150.25 21.78 Favored Glycine 0 C--N 1.355 1.628 0 N-CA-C 114.488 0.555 . . . . 0.86 114.488 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 61.77 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.062 0.945 . . . . 2.62 112.217 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -80.16 -26.55 39.28 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.579 0.214 . . . . 1.11 111.579 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -96.94 41.37 1.11 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.535 0.334 . . . . 1.36 110.457 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -146.94 139.32 24.79 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.701 0.401 . . . . 1.13 111.356 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.39 131.08 44.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.812 -0.81 . . . . 0.79 108.812 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.9 152.95 34.95 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 112.444 0.535 . . . . 0.69 112.444 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.64 -22.6 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 N-CA-C 112.753 0.649 . . . . 0.71 112.753 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -98.39 -30.65 12.44 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.333 0.494 . . . . 0.83 112.333 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.26 -32.36 49.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.857 0.688 . . . . 1.61 112.857 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.44 -37.11 82.49 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.189 0.45 . . . . 0.66 111.548 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -66.54 -35.38 80.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.483 0.313 . . . . 0.81 111.185 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -72.26 -33.99 67.9 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.533 0.333 . . . . 0.69 111.054 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.47 -35.18 78.5 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.759 0.423 . . . . 0.68 110.676 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -74.76 -32.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 122.646 0.378 . . . . 0.48 111.625 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -95.46 33.59 1.58 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 122.443 0.297 . . . . 0.83 111.748 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -162.13 -53.85 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.23 0.456 . . . . 0.98 112.23 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -107.86 -17.92 13.94 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.591 0.96 . . . . 0.73 113.591 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -127.76 39.43 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.21 -34.06 0.92 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.187 1.925 . . . . 0.48 114.696 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.95 -34.82 66.76 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.853 0.297 . . . . 0.81 111.773 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.85 -50.8 39.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.451 0.3 . . . . 0.88 110.435 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -99.17 101.28 12.57 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.528 -0.916 . . . . 0.7 108.528 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -30.16 53.06 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 113.706 1.002 . . . . 1.23 113.706 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -100.78 91.04 4.44 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 120.525 0.203 . . . . 1.94 110.54 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.18 -38.2 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.377 -0.374 . . . . 0.6 110.426 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.59 -45.11 8.08 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 120.033 -0.315 . . . . 0.67 112.442 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.3 t -83.11 79.21 9.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.042 0.449 . . . . 0.92 110.436 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 13.15 13.56 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.628 -0.714 . . . . 1.24 110.927 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.37 -29.41 37.89 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.795 0.27 . . . . 0.73 111.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.15 -38.78 87.66 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.853 0.461 . . . . 1.1 111.028 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.69 -34.03 17.35 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 119.191 -0.433 . . . . 1.47 111.531 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 60.9 ttp -56.58 -42.17 78.21 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 112.105 0.409 . . . . 0.81 112.105 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.023 0.129 . . . . 2.39 110.75 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 48.7 m -71.08 -31.1 67.4 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.771 0.428 . . . . 0.63 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' B' ' 79' ' ' LEU . 45.2 mt -74.03 -57.15 4.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.75 0.42 . . . . 0.69 110.735 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.56 68.22 7.82 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.106 0.479 . . . . 1.32 110.436 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.33 -32.77 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.847 -0.615 . . . . 0.72 110.864 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -69.83 -36.1 75.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.824 0.449 . . . . 1.38 111.12 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 67.08 98.89 0.05 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.608 0.763 . . . . 2.02 111.394 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.93 -65.88 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.27 -0.423 . . . . 1.3 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -178.96 -55.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.579 0.752 . . . . 1.35 110.103 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -106.51 165.62 11.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.003 0.521 . . . . 2.4 110.119 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.09 100.71 11.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.676 0.39 . . . . 1.13 110.762 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -67.02 155.2 39.28 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.817 -0.438 . . . . 1.81 109.817 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.15 -29.31 67.33 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.246 0.461 . . . . 1.23 112.246 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -69.6 -23.01 63.46 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.552 0.341 . . . . 0.99 110.985 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -106.89 -8.44 16.68 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.727 0.811 . . . . 0.93 111.579 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.599 ' HA ' HD22 ' B' ' 63' ' ' LEU . 43.5 t80 -97.84 -12.07 22.56 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 112.725 0.639 . . . . 0.71 112.725 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -17.56 14.18 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.956 1.095 . . . . 1.54 113.956 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.548 ' HB2' HD23 ' B' ' 63' ' ' LEU . 17.8 mmm-85 -67.74 -32.31 72.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.165 0.439 . . . . 2.15 111.513 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.654 ' HB2' HD21 ' B' ' 63' ' ' LEU . 11.4 tp -84.98 -35.74 21.8 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.699 -0.482 . . . . 0.49 109.699 178.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.6 -35.68 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 109.502 -0.555 . . . . 0.56 109.502 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.57 -36.51 58.69 Favored Glycine 0 C--N 1.358 1.784 0 N-CA-C 111.461 -0.656 . . . . 0.42 111.461 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.43 -30.07 66.83 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.163 0.585 . . . . 0.91 110.917 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.1 -58.67 7.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.081 0.552 . . . . 0.69 110.786 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.35 -23.38 61.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.734 0.642 . . . . 0.55 112.734 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.79 -29.84 45.15 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.024 0.374 . . . . 1.1 110.884 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.91 29.71 2.03 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.132 0.419 . . . . 1.68 112.132 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.85 -37.87 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.264 -0.643 . . . . 0.63 109.264 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -38.73 6.02 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 122.758 0.423 . . . . 1.64 111.478 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.25 52.14 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.945 0.72 . . . . 1.65 112.945 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 122.028 -0.42 . . . . 2.03 111.081 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -145.58 63.59 1.26 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 108.866 -0.79 . . . . 1.36 108.866 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.63 88.23 0.35 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.832 -0.622 . . . . 1.72 112.672 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.3 tp -166.51 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.355 -0.839 . . . . 1.27 110.15 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -105.79 -34.09 7.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.04 0.536 . . . . 1.61 111.115 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.22 94.96 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.963 0.505 . . . . 1.04 110.488 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -110.35 16.12 21.84 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.909 0.707 . . . . 2.42 112.909 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -154.2 117.99 4.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.089 0.404 . . . . 1.86 111.811 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 tttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.217 -0.897 . . . . 1.85 110.421 179.045 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.501 2.105 0 N-CA-C 112.178 0.436 . . . . 2.71 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.06 158.84 15.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 122.939 0.495 . . . . 1.02 110.97 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.21 150.08 24.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 112.172 0.434 . . . . 0.7 112.172 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.37 145.25 28.41 Favored Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.963 0.505 . . . . 1.02 111.15 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.07 143.15 53.15 Favored 'Trans proline' 0 C--N 1.384 2.41 0 C-N-CA 122.792 2.328 . . . . 0.74 113.284 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.1 mt -142.17 -47.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.507 0.558 . . . . 1.19 112.507 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -142.93 168.46 19.65 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.881 0.473 . . . . 0.98 110.397 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -52.66 -47.02 67.42 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 112.75 0.648 . . . . 1.42 112.75 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 HD21 ' B' ' 41' ' ' LEU . 73.6 mt -77.53 -40.46 42.56 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 111.754 0.279 . . . . 0.65 111.754 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.58 -35.56 80.89 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.538 0.154 . . . . 1.03 111.067 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.6 -31.07 64.91 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.266 0.354 . . . . 0.81 111.317 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.9 m -60.31 -53.0 62.84 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.344 0.258 . . . . 0.63 111.593 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.24 -14.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 112.206 0.447 . . . . 0.56 112.206 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -34.25 20.39 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.611 0.764 . . . . 1.0 110.954 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -59.99 -32.38 70.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.606 0.362 . . . . 0.77 111.177 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.97 -27.09 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 110.189 -0.3 . . . . 0.5 110.189 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 t -81.72 -65.47 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.143 0.577 . . . . 0.95 110.556 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -56.99 -27.48 61.53 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.962 1.467 . . . . 0.62 114.962 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -77.77 -49.02 15.2 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.814 0.672 . . . . 0.66 112.814 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -97.67 -7.22 31.41 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.694 1.368 . . . . 0.95 114.694 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.16 -18.56 62.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.445 1.02 . . . . 3.17 112.426 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -63.13 -33.99 76.65 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 117.836 0.289 . . . . 1.37 110.678 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -91.62 -38.65 12.33 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.785 0.434 . . . . 1.55 110.815 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.12 -34.4 68.32 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 113.049 0.759 . . . . 0.83 113.049 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -71.71 -16.38 62.23 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.34 0.866 . . . . 1.55 113.34 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.61 -56.01 27.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.454 0.538 . . . . 1.8 112.454 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -128.59 141.49 51.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 111.723 0.268 . . . . 1.59 111.723 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.74 67.19 1.83 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-O 119.803 -0.443 . . . . 0.92 113.74 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 64.31 171.08 0.18 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.568 0.747 . . . . 2.6 111.755 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -85.26 -49.73 7.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.886 0.475 . . . . 1.22 111.226 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -76.69 -25.5 53.73 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.228 0.455 . . . . 1.43 112.228 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.2 145.44 25.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.656 0.613 . . . . 1.09 112.656 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.46 159.13 15.38 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.45 0.7 . . . . 0.76 109.744 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -86.28 157.72 19.86 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.701 -0.227 . . . . 0.68 110.745 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.09 -30.92 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 113.156 0.798 . . . . 0.64 113.156 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.39 -29.32 19.16 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 111.993 0.368 . . . . 0.82 111.993 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.94 -40.78 91.69 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.379 0.881 . . . . 1.54 113.379 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -67.31 -30.8 70.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.083 0.402 . . . . 0.65 111.37 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.78 -39.3 84.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 110.319 -0.252 . . . . 0.87 110.319 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.95 -29.6 66.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.628 0.371 . . . . 0.73 110.774 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.562 HD11 HD13 ' B' ' 9' ' ' LEU . 56.3 tp -66.15 -39.41 89.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.364 0.666 . . . . 0.65 111.522 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.71 -28.79 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 119.399 -0.334 . . . . 0.45 111.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -101.13 35.8 2.14 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.085 0.402 . . . . 0.8 111.874 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -156.83 -58.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.125 -0.36 . . . . 1.1 111.69 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -110.28 -9.15 14.66 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.967 0.729 . . . . 0.84 112.967 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -130.69 34.88 0.28 Allowed Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 112.588 0.588 . . . . 0.67 112.588 179.679 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 94.7 Cg_endo -76.98 -36.32 1.49 Allowed 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 122.216 1.944 . . . . 0.52 114.662 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.05 -29.99 63.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 111.857 0.317 . . . . 0.85 111.857 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.48 -52.91 18.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.515 0.326 . . . . 0.87 111.058 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.78 107.25 18.77 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.273 0.358 . . . . 0.73 110.34 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -55.78 -33.72 64.63 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.06 0.544 . . . . 1.32 112.393 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.68 79.83 8.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 109.748 -0.464 . . . . 2.08 109.748 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.37 -40.88 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.328 -0.396 . . . . 0.71 111.424 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.66 -25.07 11.09 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-O 119.634 -0.537 . . . . 0.83 113.273 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 t -90.01 67.57 7.08 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 117.597 0.699 . . . . 0.85 111.053 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.03 -7.11 33.7 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.672 -0.695 . . . . 1.22 111.239 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.88 -30.66 70.29 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.994 0.739 . . . . 0.77 112.994 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.55 -40.84 89.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.377 0.271 . . . . 1.09 110.68 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.54 -27.71 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.268 0.627 . . . . 1.55 111.47 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.4 ttp -60.25 -41.28 92.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.118 0.567 . . . . 0.84 112.292 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.66 -33.99 77.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 117.813 0.279 . . . . 2.56 111.062 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -79.13 -32.64 44.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.61 110.563 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 79' ' ' LEU . 28.0 mt -69.89 -54.71 12.2 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.62 0.768 . . . . 0.68 111.151 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -91.8 57.14 3.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 122.912 0.485 . . . . 1.39 110.505 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.77 -27.02 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 116.04 -0.527 . . . . 0.73 110.956 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.57 -32.17 71.89 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.913 0.485 . . . . 1.44 110.13 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 65.37 59.71 0.79 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 124.308 1.043 . . . . 1.96 112.163 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.37 -0.07 5.67 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.611 -0.722 . . . . 1.41 111.802 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t 80.03 -31.1 0.13 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.28 1.032 . . . . 1.31 112.843 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.31 111.46 23.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 122.739 0.415 . . . . 2.42 110.215 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.49 93.82 5.48 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.565 0.222 . . . . 0.95 111.02 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -70.93 167.54 18.86 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.645 -0.502 . . . . 1.89 109.645 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -30.06 70.52 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.649 0.658 . . . . 1.2 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -68.59 -36.41 78.68 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 122.738 0.415 . . . . 0.98 110.108 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -87.92 -24.91 23.47 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.823 0.449 . . . . 1.03 111.034 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -83.74 -12.05 56.31 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.906 0.882 . . . . 0.69 110.77 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -27.25 64.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.12 0.968 . . . . 1.62 112.16 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -62.86 -30.88 71.85 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.152 0.181 . . . . 1.96 111.255 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.48 ' HB2' HD21 ' A' ' 63' ' ' LEU . 17.0 tp -84.66 -35.26 22.74 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 119.358 -0.353 . . . . 0.53 110.762 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.96 -40.19 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 122.474 0.31 . . . . 0.61 110.394 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.41 -38.34 86.83 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.581 -0.607 . . . . 0.47 111.581 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.16 -27.44 65.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 122.753 0.421 . . . . 0.86 111.51 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.79 -59.23 5.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.819 0.448 . . . . 0.67 110.803 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -71.83 -28.61 63.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.627 0.371 . . . . 0.55 111.483 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.53 -26.45 64.52 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.21 0.204 . . . . 0.96 110.75 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.5 34.9 3.4 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 122.75 0.42 . . . . 1.65 111.847 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.434 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -105.51 -41.47 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.815 -0.439 . . . . 0.66 109.815 177.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -35.05 5.29 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.91 0.484 . . . . 1.74 111.985 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -118.25 39.49 3.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 111.914 0.339 . . . . 1.52 111.914 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -61.1 -41.11 96.07 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 120.493 0.187 . . . . 1.87 110.926 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -136.28 57.37 1.78 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.933 -0.765 . . . . 1.53 108.933 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -70.75 78.9 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 121.492 0.663 . . . . 1.81 111.899 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -169.95 -49.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.243 -0.89 . . . . 1.24 109.801 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -91.77 -43.03 9.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.071 0.548 . . . . 1.73 110.266 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 pt -134.91 134.63 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.231 0.612 . . . . 1.06 110.3 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -150.04 44.34 0.9 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.365 0.506 . . . . 2.26 112.365 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -162.02 107.45 1.26 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.402 -0.363 . . . . 1.74 110.636 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.241 0.543 . . . . 1.71 110.499 179.727 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.552 1.053 0 N-CA-C 112.127 0.417 . . . . 1.75 112.127 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.01 130.83 50.77 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.995 0.518 . . . . 0.78 110.672 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.408 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -87.95 115.29 25.31 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.054 0.221 . . . . 0.69 111.414 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.62 144.28 27.85 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 122.899 0.48 . . . . 1.1 111.003 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.25 138.29 60.43 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.514 2.143 . . . . 0.83 113.514 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.8 mt -134.16 -136.58 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.223 0.609 . . . . 1.24 109.967 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -66.77 169.69 7.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 119.141 0.882 . . . . 1.06 111.079 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -51.47 -49.74 61.2 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.3 0.852 . . . . 1.51 113.3 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.562 HD13 HD11 ' A' ' 41' ' ' LEU . 79.1 mt -74.84 -34.54 62.32 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.936 0.347 . . . . 0.65 111.936 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -71.08 -35.53 71.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.425 0.29 . . . . 0.95 110.639 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.7 -24.7 53.14 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.371 0.668 . . . . 0.85 111.895 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -60.15 -54.47 45.49 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.845 0.293 . . . . 0.56 111.359 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -70.39 -27.82 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.324 0.249 . . . . 0.53 111.415 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.408 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 2.2 tm-20 -68.17 -38.03 81.63 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 122.911 0.484 . . . . 1.0 111.029 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 36.6 m -59.49 -31.98 69.85 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.731 0.413 . . . . 0.88 111.54 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.98 -36.56 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.72 -0.474 . . . . 0.56 109.72 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.84 -39.83 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.739 0.416 . . . . 0.97 111.086 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -71.66 -35.09 70.22 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.062 0.764 . . . . 0.67 113.062 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -76.14 -42.65 46.12 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.498 -0.287 . . . . 0.69 111.346 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.86 60.91 0.79 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 121.048 0.452 . . . . 1.02 110.919 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -119.81 -40.96 2.7 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.942 -0.572 . . . . 3.08 109.914 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -64.32 -33.3 75.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 1.37 111.605 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.67 -35.38 20.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.914 0.486 . . . . 1.54 110.912 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.15 67.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.431 0.9 . . . . 0.85 113.431 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -75.56 -17.04 60.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.363 0.875 . . . . 1.73 113.363 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.614 0.598 . . . . 1.68 112.614 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -100.62 -176.37 3.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.376 . . . . 1.45 110.68 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.92 136.2 10.24 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.171 0.428 . . . . 0.86 114.171 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 65.24 128.58 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.164 0.986 . . . . 2.62 112.017 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -63.3 -49.4 74.14 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.843 0.457 . . . . 1.11 112.214 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.63 56.1 2.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.523 0.329 . . . . 1.36 111.019 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -152.69 135.94 15.78 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.008 0.373 . . . . 1.13 112.008 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.68 146.49 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.716 -0.674 . . . . 0.79 110.301 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -89.72 161.47 16.05 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.453 0.168 . . . . 0.69 111.055 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.43 -30.82 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 112.593 0.59 . . . . 0.71 112.593 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -95.3 -34.11 12.3 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.666 0.386 . . . . 0.83 111.968 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.52 -34.68 72.58 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.851 0.686 . . . . 1.61 112.851 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -37.26 68.36 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 117.694 0.225 . . . . 0.66 111.213 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.4 -34.56 78.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.495 0.318 . . . . 0.81 111.637 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.586 0.354 . . . . 0.69 111.369 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.431 HD21 HD13 ' A' ' 9' ' ' LEU . 6.3 tp -68.47 -35.9 78.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.763 0.425 . . . . 0.68 110.76 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.06 -30.8 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.212 0.605 . . . . 0.48 111.722 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.19 20.65 13.13 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.535 0.569 . . . . 0.83 112.535 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -146.48 -64.03 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.343 0.497 . . . . 0.98 112.343 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -99.31 -12.52 20.26 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.417 0.895 . . . . 0.73 113.417 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -132.53 48.21 3.35 Favored Pre-proline 0 CA--C 1.564 1.518 0 CA-C-N 118.231 0.469 . . . . 0.62 111.922 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -83.26 -34.89 0.29 Allowed 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.479 2.12 . . . . 0.48 114.713 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -83.56 -8.07 59.4 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.005 0.743 . . . . 0.81 113.005 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.79 -54.99 4.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.257 0.48 . . . . 0.88 110.106 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.2 mt -94.44 108.71 20.63 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.283 -1.006 . . . . 0.7 108.283 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.64 -30.65 61.33 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.835 1.05 . . . . 1.23 113.835 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -104.75 83.01 1.96 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.098 -0.334 . . . . 1.94 110.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.65 -25.41 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 112.413 0.523 . . . . 0.6 112.413 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.27 -60.48 2.52 Favored Glycine 0 C--N 1.351 1.381 0 C-N-CA 121.454 -0.403 . . . . 0.67 112.656 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -82.81 80.68 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.89 0.376 . . . . 0.92 111.245 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -3.58 51.86 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.345 -0.389 . . . . 1.24 111.696 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.16 -34.45 66.19 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.566 0.58 . . . . 0.73 112.566 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.19 -36.33 82.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.057 0.143 . . . . 1.1 111.04 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -107.74 40.75 1.65 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.64 0.376 . . . . 1.47 110.293 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -131.12 -46.81 1.01 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.238 0.615 . . . . 0.81 110.531 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -67.84 -38.21 82.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.511 0.324 . . . . 2.39 110.78 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.9 m -67.44 -28.6 68.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.517 0.327 . . . . 0.63 111.875 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.39 -56.88 4.47 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.846 -0.427 . . . . 0.69 109.846 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.56 74.42 6.77 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.519 -0.549 . . . . 1.32 109.519 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 p -83.81 -18.75 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 CA-C-N 116.016 -0.538 . . . . 0.72 111.83 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -77.96 -22.26 49.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.18 0.437 . . . . 1.38 112.18 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 61.47 63.65 1.16 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.696 0.799 . . . . 2.02 111.598 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -131.6 5.74 4.35 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.311 -0.859 . . . . 1.3 111.462 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t 64.75 29.47 12.74 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 123.535 0.734 . . . . 1.35 112.287 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.27 130.65 25.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.672 0.389 . . . . 2.4 110.047 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.42 79.72 1.26 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.97 0.414 . . . . 1.13 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -70.25 174.39 5.63 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.61 -0.885 . . . . 1.81 108.61 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.4 -22.99 65.49 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.418 1.008 . . . . 1.23 111.475 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -74.12 -37.02 64.22 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.027 0.531 . . . . 0.99 110.141 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.33 -48.57 11.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.239 0.616 . . . . 0.93 109.878 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.18 -19.71 55.25 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.082 0.953 . . . . 0.71 111.229 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -36.37 -48.96 0.68 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.013 1.725 . . . . 1.54 114.309 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -62.11 -33.23 74.05 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.738 0.644 . . . . 2.15 112.738 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -73.99 -35.33 64.44 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.101 0.41 . . . . 0.49 110.397 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.38 -40.69 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.074 0.55 . . . . 0.56 110.576 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.33 -36.24 92.47 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 121.305 -0.474 . . . . 0.42 112.028 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -76.28 -24.22 54.42 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 119.243 -0.408 . . . . 0.91 111.939 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.25 -47.96 80.22 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.957 0.344 . . . . 0.69 110.537 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.57 -15.29 52.81 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.556 0.576 . . . . 0.55 112.556 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -83.8 -43.31 15.54 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.684 0.394 . . . . 1.1 111.717 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.69 -23.23 49.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.03 0.752 . . . . 1.68 113.03 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.529 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -64.42 -36.46 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 118.271 0.487 . . . . 0.63 111.542 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -93.08 -40.2 10.65 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.356 0.502 . . . . 1.64 112.356 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.69 71.57 1.45 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 112.872 0.693 . . . . 1.65 112.872 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -73.5 -42.07 62.3 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.816 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -135.04 73.96 1.5 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.002 -0.74 . . . . 1.36 109.002 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.92 -31.2 70.73 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.735 0.643 . . . . 1.72 112.735 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 mp -74.99 -41.67 59.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.438 0.295 . . . . 1.27 111.678 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -81.94 -64.16 1.24 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.941 0.348 . . . . 1.61 111.941 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 pt -109.86 149.1 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 111.933 0.346 . . . . 1.04 111.933 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -135.93 12.56 3.37 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 113.046 0.758 . . . . 2.42 113.046 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -153.46 102.5 2.58 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.418 0.553 . . . . 1.86 111.445 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.262 -0.875 . . . . 1.85 110.252 179.459 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptm . . . . . 0 N--CA 1.499 2.025 0 N-CA-C 113.194 0.813 . . . . 2.71 113.194 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 143.24 47.33 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.101 0.41 . . . . 1.02 111.463 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.98 128.9 39.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.198 -0.455 . . . . 0.7 111.37 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -123.44 135.92 26.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 123.026 0.531 . . . . 1.02 111.194 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.06 136.42 76.52 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.623 2.215 . . . . 0.74 113.342 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -138.53 -155.39 0.59 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 123.244 0.618 . . . . 1.19 109.653 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -59.61 176.22 0.29 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 118.757 0.708 . . . . 0.98 111.957 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -57.02 -44.6 83.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.325 0.861 . . . . 1.42 113.325 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.75 -37.87 55.18 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.185 0.448 . . . . 0.65 111.035 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.43 -20.36 61.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.399 0.28 . . . . 1.03 111.622 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -87.73 -25.72 23.3 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.034 0.533 . . . . 0.81 110.716 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -58.5 -56.47 21.77 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.451 0.301 . . . . 0.63 110.97 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 14' ' ' GLU . 2.6 pp -70.29 -25.49 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 O-C-N 122.915 0.134 . . . . 0.56 111.1 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 13' ' ' ILE . 10.4 tm-20 -70.94 -36.78 72.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 1.0 111.056 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.29 -29.52 70.83 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.436 0.294 . . . . 0.77 110.771 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.0 t -72.6 -30.26 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.03 0.532 . . . . 0.5 110.693 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 t -101.38 38.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 122.931 0.492 . . . . 0.95 110.614 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -143.23 -52.11 0.36 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.874 0.47 . . . . 0.62 111.087 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -67.06 -41.51 86.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.435 0.294 . . . . 0.66 111.301 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -109.13 37.68 2.5 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 122.43 0.292 . . . . 0.95 111.306 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -95.13 -35.03 12.05 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.038 -0.356 . . . . 3.17 110.038 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 m -71.63 -30.17 65.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.06 0.544 . . . . 1.37 111.251 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.11 -30.79 22.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.837 0.455 . . . . 1.55 111.993 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.89 -14.98 61.6 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.261 0.837 . . . . 0.83 113.261 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -93.49 11.53 28.22 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.76 1.022 . . . . 1.55 113.76 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -73.55 -40.86 63.64 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.045 0.384 . . . . 1.8 111.084 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -97.28 -171.64 2.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.988 0.515 . . . . 1.59 110.258 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.0 148.51 13.03 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 114.04 0.376 . . . . 0.92 114.04 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 66.76 137.18 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.159 0.984 . . . . 2.6 112.159 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -77.38 -35.92 54.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.103 0.561 . . . . 1.22 111.765 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -107.58 55.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.002 0.43 . . . . 1.43 110.204 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -147.95 139.96 24.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.992 -0.549 . . . . 1.09 111.059 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mp -98.68 140.6 32.66 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.81 -0.441 . . . . 0.76 109.81 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -80.22 152.45 29.11 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.164 0.186 . . . . 0.68 111.34 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.86 -32.37 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 112.327 0.491 . . . . 0.64 112.327 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -90.06 -35.11 15.66 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.556 0.342 . . . . 0.82 111.802 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.58 -40.91 73.01 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.117 0.414 . . . . 1.54 112.117 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -32.24 69.34 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.821 0.282 . . . . 0.65 110.567 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -60.31 -34.24 73.52 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.996 0.518 . . . . 0.87 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.53 -29.04 37.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.88 0.472 . . . . 0.73 111.526 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.75 -33.77 74.47 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.533 0.333 . . . . 0.65 111.746 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.9 -20.32 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 122.608 0.363 . . . . 0.45 111.085 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -91.52 -28.76 17.38 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 112.625 0.602 . . . . 0.8 112.625 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -105.15 -53.76 2.6 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.487 0.921 . . . . 1.1 113.487 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -94.68 -12.45 27.28 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.664 0.987 . . . . 0.84 113.664 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.57 42.62 0.92 Allowed Pre-proline 0 CA--C 1.566 1.574 0 CA-C-N 118.443 0.565 . . . . 0.67 112.239 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.74 -38.65 0.46 Allowed 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 122.066 1.844 . . . . 0.52 114.313 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -80.85 -16.2 54.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.627 0.603 . . . . 0.85 112.627 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.81 -67.21 0.77 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.961 -0.385 . . . . 0.87 109.961 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.77 106.33 18.44 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.212 -1.033 . . . . 0.73 108.212 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -22.75 61.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.125 0.787 . . . . 1.32 113.125 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -82.53 70.61 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.964 0.411 . . . . 2.08 110.267 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.9 -36.41 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 CA-C-N 116.168 -0.469 . . . . 0.71 112.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.23 -54.7 3.09 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.945 -0.364 . . . . 0.83 112.766 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -81.48 80.06 7.95 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.74 -0.467 . . . . 0.85 109.74 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.15 67.46 0.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.721 -0.672 . . . . 1.22 109.383 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 -42.28 1.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.305 -0.861 . . . . 0.77 111.428 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.39 -36.31 83.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.727 0.24 . . . . 1.09 110.959 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -101.5 30.42 4.28 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.502 0.321 . . . . 1.55 111.091 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.6 ttp -120.8 -48.04 2.28 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.459 -0.571 . . . . 0.84 109.459 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.81 -33.0 58.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.845 0.458 . . . . 2.56 110.792 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.9 m -63.11 -28.99 70.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.524 0.33 . . . . 0.61 111.071 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.37 -57.62 3.68 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 109.475 -0.565 . . . . 0.68 109.475 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -88.58 76.76 8.1 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.208 0.528 . . . . 1.39 110.547 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.12 -10.12 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.53 -0.759 . . . . 0.73 112.056 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.2 -19.13 27.3 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.373 0.669 . . . . 1.44 111.832 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 63.58 76.08 0.37 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 123.818 0.847 . . . . 1.96 111.771 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 22.63 1.99 Allowed 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.822 -0.626 . . . . 1.41 111.84 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 t 66.62 -61.14 0.32 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.52 1.128 . . . . 1.31 113.185 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.83 144.82 36.72 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.112 0.415 . . . . 2.42 111.076 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.25 92.24 4.64 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 123.322 0.389 . . . . 0.95 110.151 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -62.77 162.18 11.32 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.281 -0.637 . . . . 1.89 109.281 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -24.06 48.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.127 0.876 . . . . 1.2 111.887 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.06 -31.46 67.89 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 109.939 -0.393 . . . . 0.98 109.939 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.55 -45.81 12.21 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 108.948 -0.76 . . . . 1.03 108.948 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.73 -20.63 63.72 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.678 0.791 . . . . 0.69 111.143 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -43.66 -44.63 6.51 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.775 1.63 . . . . 1.62 112.68 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -62.81 -31.15 72.07 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.003 0.742 . . . . 1.96 113.003 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.7 -33.12 41.26 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 119.489 -0.291 . . . . 0.53 111.336 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.87 -33.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 110.2 -0.296 . . . . 0.61 110.2 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.5 95.33 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.952 -0.459 . . . . 0.47 111.952 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.16 -26.77 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.873 0.469 . . . . 0.86 111.409 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.5 -54.27 48.55 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.602 0.361 . . . . 0.67 111.056 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 87' ' ' ILE . . . -80.64 -21.69 41.21 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.214 0.82 . . . . 0.55 113.214 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -80.54 -36.6 32.85 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.047 0.385 . . . . 0.96 111.012 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -95.55 33.45 1.62 Allowed 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 112.049 0.388 . . . . 1.65 112.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -102.66 -43.33 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.531 0.333 . . . . 0.66 110.238 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -37.68 7.69 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 112.225 0.454 . . . . 1.74 112.225 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -124.56 58.0 1.23 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 111.958 0.355 . . . . 1.52 111.958 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -33.69 76.5 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 110.224 -0.287 . . . . 1.87 110.224 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -142.53 77.32 1.57 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.043 -1.095 . . . . 1.53 108.043 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.5 -33.73 70.14 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.224 0.824 . . . . 1.81 113.224 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -73.24 -26.95 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.665 0.616 . . . . 1.24 112.665 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -102.7 -57.62 2.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.412 0.285 . . . . 1.73 111.426 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.3 pt -113.71 124.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.0 0.52 . . . . 1.06 111.605 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -143.08 42.41 1.54 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.297 -0.41 . . . . 2.26 111.334 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -158.16 89.0 0.97 Allowed 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.813 0.339 . . . . 1.74 111.537 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.4 mttp . . . . . 0 N--CA 1.475 0.803 0 CA-C-N 116.182 -0.463 . . . . 1.71 110.657 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptt? . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 112.157 0.429 . . . . 1.75 112.157 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.31 141.83 35.24 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 122.69 0.396 . . . . 0.78 111.487 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.451 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -85.39 121.61 28.35 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.384 -0.371 . . . . 0.69 110.763 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -124.85 143.71 44.61 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.824 0.45 . . . . 1.1 111.265 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.88 147.92 49.11 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.459 2.772 . . . . 0.83 114.385 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 mt -141.79 -60.46 0.47 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.564 0.346 . . . . 1.24 111.931 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.418 HG22 ' H ' ' B' ' 8' ' ' GLU . 1.9 m -142.69 173.43 11.54 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.137 0.575 . . . . 1.06 110.437 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.418 ' H ' HG22 ' B' ' 7' ' ' THR . 43.1 mt-10 -49.03 -53.97 17.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.83 1.048 . . . . 1.51 113.83 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.67 -33.74 35.29 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.35 0.5 . . . . 0.65 112.35 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.98 -26.62 64.17 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.833 0.288 . . . . 0.95 111.322 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.2 -32.02 30.06 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.186 0.594 . . . . 0.85 111.216 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -55.66 -60.44 3.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.61 0.364 . . . . 0.56 111.209 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.74 -26.85 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 111.939 0.348 . . . . 0.53 111.939 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.451 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 2.3 tm-20 -73.31 -36.18 66.2 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.098 0.559 . . . . 1.0 111.634 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 84.8 m -57.55 -31.64 66.3 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.724 0.41 . . . . 0.88 112.085 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.66 -28.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.216 0.206 . . . . 0.56 110.702 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -94.02 33.01 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.526 0 C-N-CA 122.744 0.417 . . . . 0.97 110.893 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -148.45 -45.28 0.15 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.005 0.522 . . . . 0.67 112.164 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -64.11 -66.26 0.57 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.254 0.464 . . . . 0.69 112.254 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.49 -8.72 49.67 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.486 0.55 . . . . 1.02 112.486 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -75.94 -8.9 58.02 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.521 0.601 . . . . 3.08 112.513 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 m -70.73 -34.57 72.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.3 -0.63 . . . . 1.37 109.3 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -89.61 -30.92 17.82 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.514 0.726 . . . . 1.54 110.902 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.42 69.18 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.14 0.793 . . . . 0.85 113.14 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -83.7 8.14 15.44 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.651 0.611 . . . . 1.73 112.651 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -78.8 -35.2 44.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.705 0.402 . . . . 1.68 110.782 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.9 -168.81 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.965 0.506 . . . . 1.45 110.254 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.75 135.45 25.04 Favored Glycine 0 C--N 1.36 1.878 0 N-CA-C 114.335 0.494 . . . . 0.86 114.335 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? 63.12 131.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.125 0.97 . . . . 2.62 112.173 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -71.48 -38.29 71.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.631 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -98.7 53.98 1.02 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.013 0.525 . . . . 1.36 109.908 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.5 t -159.54 142.04 13.74 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.235 -0.439 . . . . 1.13 112.129 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.32 153.34 18.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.892 0.477 . . . . 0.79 109.934 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -86.18 159.46 19.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.338 0.255 . . . . 0.69 110.605 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.77 -26.01 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 112.786 0.661 . . . . 0.71 112.786 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -95.13 -32.24 13.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.651 0.38 . . . . 0.83 111.49 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.06 -43.9 77.55 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.761 0.652 . . . . 1.61 112.761 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.28 -34.97 78.83 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 111.919 0.34 . . . . 0.66 111.919 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.74 -36.17 73.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 119.708 -0.187 . . . . 0.81 111.049 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.27 -34.74 75.22 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.393 0.277 . . . . 0.69 110.563 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.8 -37.02 85.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.679 0.392 . . . . 0.68 110.85 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -77.11 -28.27 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 123.221 0.326 . . . . 0.48 111.767 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -102.99 23.52 12.15 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.643 0.609 . . . . 0.83 112.643 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -146.18 -56.35 0.28 Allowed 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.982 -0.449 . . . . 0.98 112.087 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -107.34 -8.58 16.29 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.177 0.806 . . . . 0.73 113.177 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 47.04 1.55 Allowed Pre-proline 0 CA--C 1.562 1.414 0 CA-C-N 118.409 0.55 . . . . 0.62 111.681 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.34 -36.25 0.7 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.665 2.243 . . . . 0.48 114.475 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -66.66 -40.22 88.53 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.244 0.461 . . . . 0.81 112.244 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -63.11 1.36 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.261 0.351 . . . . 0.88 111.074 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.4 86.4 5.66 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.298 -0.631 . . . . 0.7 109.298 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -49.85 -38.55 35.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.978 0.733 . . . . 1.23 112.978 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.31 72.43 10.71 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.931 0.396 . . . . 1.94 110.74 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -69.05 -33.43 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 116.421 -0.354 . . . . 0.6 111.745 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.79 -44.52 19.7 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.999 -0.44 . . . . 0.67 111.999 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -86.22 82.23 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.24 -0.652 . . . . 0.92 109.24 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.59 4.74 13.21 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.454 -0.793 . . . . 1.24 111.957 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.15 -31.17 64.09 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.373 0.508 . . . . 0.73 112.373 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.3 -41.51 93.59 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.235 0.214 . . . . 1.1 110.812 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.68 -38.38 25.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 119.469 -0.301 . . . . 1.47 110.459 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 57.6 ttp -52.88 -40.99 63.92 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.728 0.411 . . . . 0.81 111.631 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -71.23 -39.59 71.6 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.373 0.269 . . . . 2.39 111.124 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -66.91 -35.84 80.91 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.51 0.324 . . . . 0.63 111.156 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' B' ' 79' ' ' LEU . 15.8 mt -70.61 -57.03 5.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.769 0.428 . . . . 0.69 110.295 178.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -85.97 76.15 9.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.123 0.487 . . . . 1.32 109.967 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 p -94.92 -29.09 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 115.566 -0.743 . . . . 0.72 111.831 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.47 -18.48 41.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.526 0.331 . . . . 1.38 111.843 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.57 70.95 0.54 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 123.905 0.882 . . . . 2.02 111.92 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -134.87 7.99 3.5 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 115.798 -0.637 . . . . 1.3 112.061 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 59.4 28.17 17.47 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 123.635 0.774 . . . . 1.35 112.153 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -143.73 134.5 25.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 122.88 0.472 . . . . 2.4 110.405 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.28 81.67 1.48 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.651 0.263 . . . . 1.13 111.628 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -70.31 161.23 30.78 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.214 -1.032 . . . . 1.81 108.214 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -28.09 55.06 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.192 0.906 . . . . 1.23 112.503 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.2 -34.41 78.3 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.119 0.418 . . . . 0.99 110.109 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.39 -34.95 14.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.424 0.69 . . . . 0.93 110.723 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.514 ' HA ' HD22 ' B' ' 63' ' ' LEU . 26.0 t80 -72.84 -16.21 61.6 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.721 0.809 . . . . 0.71 112.328 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -26.64 56.48 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.207 0.603 . . . . 1.54 111.688 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' B' ' 63' ' ' LEU . 1.2 mmt-85 -61.29 -35.53 77.58 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 117.733 0.242 . . . . 2.15 111.208 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.5 tp -79.33 -31.77 43.17 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.663 0.385 . . . . 0.49 111.048 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.25 -38.77 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 122.644 0.377 . . . . 0.56 110.711 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.77 -44.51 92.1 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 112.135 -0.386 . . . . 0.42 112.135 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.36 -26.19 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.249 0.219 . . . . 0.91 110.796 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' LEU . . . . . 0.488 HD13 ' HG ' ' B' ' 79' ' ' LEU . 1.5 mp -67.08 -50.29 62.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.15 0.58 . . . . 0.69 110.263 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -6.66 58.35 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.464 0.913 . . . . 0.55 113.464 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -98.47 -42.47 7.3 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.227 0.467 . . . . 1.1 110.905 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.12 -12.28 59.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.828 0.677 . . . . 1.68 112.828 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.94 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 118.309 0.504 . . . . 0.63 111.169 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -86.74 -41.95 13.73 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.898 0.479 . . . . 1.64 111.826 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -138.11 85.2 2.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 121.304 0.573 . . . . 1.65 112.302 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -36.72 37.94 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.147 -0.479 . . . . 2.03 109.759 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -116.21 73.01 0.83 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.433 -0.951 . . . . 1.36 108.433 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.19 65.48 1.17 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.013 0.435 . . . . 1.72 112.058 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -176.54 -43.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.433 0.693 . . . . 1.27 110.985 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -93.24 -50.86 5.28 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 122.948 0.499 . . . . 1.61 111.13 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.05 131.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 122.683 0.393 . . . . 1.04 111.454 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -145.03 25.09 1.43 Allowed 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.13 0.789 . . . . 2.42 113.13 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -135.87 65.26 1.54 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.488 0.661 . . . . 1.86 111.153 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.323 -0.846 . . . . 1.85 110.495 179.572 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 121.025 0.441 . . . . 2.71 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 136.52 11.78 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.899 -0.591 . . . . 1.02 110.748 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.6 124.0 40.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.721 0.267 . . . . 0.7 111.721 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -134.68 134.53 22.25 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.56 0.744 . . . . 1.02 109.987 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.74 147.86 25.07 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.381 2.054 . . . . 0.74 113.226 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.62 -75.01 0.36 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.758 0.423 . . . . 1.19 110.794 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -104.1 165.96 10.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.285 0.634 . . . . 0.98 109.795 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -55.62 -50.2 70.81 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.236 0.458 . . . . 1.42 112.236 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.8 -35.23 79.6 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 119.705 -0.188 . . . . 0.65 111.494 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.42 -38.61 74.62 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 110.09 -0.337 . . . . 1.03 110.09 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.98 -30.43 70.55 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.891 0.476 . . . . 0.81 111.065 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -64.41 -43.97 92.73 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.386 0.274 . . . . 0.63 110.606 178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -85.49 -12.33 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 112.22 0.452 . . . . 0.56 112.22 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -88.47 -41.47 12.74 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.185 0.594 . . . . 1.0 110.749 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -62.93 -29.17 70.58 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.953 0.353 . . . . 0.77 111.953 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -65.51 -28.58 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 109.913 -0.403 . . . . 0.5 109.913 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.43 -64.46 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 122.826 0.45 . . . . 0.95 110.713 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.5 p -52.41 -39.32 60.78 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.985 1.476 . . . . 0.62 114.985 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -66.53 -34.32 77.66 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.752 1.019 . . . . 0.66 113.752 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.76 -19.39 12.46 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.118 1.155 . . . . 0.95 114.118 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.84 -13.31 60.55 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.321 0.964 . . . . 3.17 113.444 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -70.87 -29.93 66.17 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.324 0.511 . . . . 1.37 109.641 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -98.12 -29.5 13.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.467 0.707 . . . . 1.55 111.472 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.29 62.68 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 112.937 0.718 . . . . 0.83 112.937 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.33 -20.89 63.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.986 0.736 . . . . 1.55 112.986 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -52.72 -43.43 65.67 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.818 0.847 . . . . 1.8 112.495 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.09 -179.49 7.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.482 0.313 . . . . 1.59 111.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.39 142.05 5.4 Favored Glycine 0 C--N 1.361 1.961 0 N-CA-C 115.017 0.767 . . . . 0.92 115.017 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 67.02 145.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.598 1.159 . . . . 2.6 111.981 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -87.82 -14.09 40.46 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 112.687 0.625 . . . . 1.22 112.687 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.22 59.09 1.09 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.692 0.397 . . . . 1.43 110.626 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -156.88 149.14 23.1 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.534 0.568 . . . . 1.09 112.534 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.63 149.09 23.71 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.717 -0.674 . . . . 0.76 109.32 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -84.26 154.19 23.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.317 0.247 . . . . 0.68 111.499 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -75.14 -32.95 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 112.41 0.522 . . . . 0.64 112.41 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -83.33 -43.71 15.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.433 0.293 . . . . 0.82 111.313 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.42 -26.98 66.69 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 111.965 0.357 . . . . 1.54 111.965 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.04 -42.0 81.24 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.744 0.418 . . . . 0.65 110.643 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.91 -31.39 72.6 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.663 0.385 . . . . 0.87 111.65 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -84.56 -33.67 23.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.798 0.439 . . . . 0.73 111.59 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.47 -38.64 91.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.67 0.213 . . . . 0.65 111.351 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.94 -29.59 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 122.584 0.354 . . . . 0.45 111.61 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -110.8 48.2 0.93 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 121.03 0.443 . . . . 0.8 111.793 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -166.28 -52.38 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.87 0.468 . . . . 1.1 110.792 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -113.02 -3.23 14.05 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 112.711 0.634 . . . . 0.84 112.711 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.55 40.32 0.38 Allowed Pre-proline 0 CA--C 1.566 1.578 0 N-CA-C 112.095 0.406 . . . . 0.67 112.095 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.4 -40.34 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 121.906 1.738 . . . . 0.52 114.505 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.19 -38.05 69.16 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.912 0.338 . . . . 0.85 111.912 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.74 -59.45 5.15 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.829 0.451 . . . . 0.87 110.57 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.25 99.18 10.11 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.512 -0.922 . . . . 0.73 108.512 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -57.6 -28.59 63.78 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 111.915 0.339 . . . . 1.32 111.915 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -78.01 80.29 4.45 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 122.85 0.46 . . . . 2.08 110.5 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -96.16 -35.76 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 116.066 -0.515 . . . . 0.71 112.298 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -50.59 7.16 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 119.755 -0.469 . . . . 0.83 113.283 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -84.66 88.47 7.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.213 0.506 . . . . 0.85 110.617 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.94 45.01 0.98 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.286 -0.416 . . . . 1.22 110.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -114.97 -43.26 3.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.852 0.461 . . . . 0.77 111.661 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.89 -37.08 86.45 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 117.832 0.287 . . . . 1.09 110.558 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -47.31 37.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 110.09 -0.337 . . . . 1.55 110.09 177.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttt -59.52 -39.04 82.58 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.074 0.768 . . . . 0.84 113.074 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -67.55 -43.73 79.96 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 111.965 0.357 . . . . 2.56 111.965 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.044 0.387 . . . . 0.61 112.044 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.712 HD22 ' HA ' ' A' ' 76' ' ' TYR . 30.7 mt -74.37 -58.42 3.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.405 0.282 . . . . 0.68 110.987 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.43 83.19 7.97 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.914 0.388 . . . . 1.39 110.633 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 p -90.51 -40.08 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 115.815 -0.63 . . . . 0.73 110.419 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -75.62 -25.83 57.27 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 122.62 0.368 . . . . 1.44 111.007 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 63.2 79.67 0.25 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 123.9 0.88 . . . . 1.96 111.691 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -131.53 25.46 4.77 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.642 -0.708 . . . . 1.41 111.074 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 t 70.78 -68.45 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.077 0.951 . . . . 1.31 112.007 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 150.78 45.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.405 0.282 . . . . 2.42 111.164 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.22 92.75 4.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.734 0.413 . . . . 0.95 111.554 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.87 161.11 29.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.412 -0.588 . . . . 1.89 109.412 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.52 -26.96 67.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.617 0.599 . . . . 1.2 112.617 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.12 -31.81 69.53 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.832 -0.433 . . . . 0.98 109.832 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -84.77 -40.89 16.71 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.731 0.412 . . . . 1.03 110.188 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.712 ' HA ' HD22 ' A' ' 63' ' ' LEU . 39.1 t80 -68.54 -16.6 63.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.179 0.592 . . . . 0.69 111.085 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -40.16 -40.88 1.18 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.874 1.67 . . . . 1.62 113.649 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.546 ' HB2' HD23 ' A' ' 63' ' ' LEU . 19.1 mmm-85 -62.8 -33.56 75.46 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.219 0.822 . . . . 1.96 113.219 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 63' ' ' LEU . 2.1 tp -79.19 -28.1 42.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 117.955 0.343 . . . . 0.53 111.699 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -55.29 -40.55 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 122.317 0.247 . . . . 0.61 110.381 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.37 -33.95 46.96 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 120.029 -0.317 . . . . 0.47 112.354 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.67 -26.94 63.67 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.157 0.583 . . . . 0.86 111.833 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.12 -48.35 65.65 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.698 0.399 . . . . 0.67 110.962 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.23 -11.73 60.13 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 111.941 0.349 . . . . 0.55 111.941 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -84.56 -41.51 16.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.328 0.651 . . . . 0.96 110.712 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.58 -20.06 47.86 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.63 0.604 . . . . 1.65 112.63 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.468 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -61.84 -39.46 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 112.563 0.579 . . . . 0.66 112.563 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' H ' ' HD3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -102.38 -42.28 6.05 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.374 0.509 . . . . 1.74 112.374 -178.073 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -138.33 78.83 1.7 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.502 0.556 . . . . 1.52 112.502 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.66 -33.1 35.86 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.721 -0.474 . . . . 1.87 109.721 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -116.39 68.46 0.73 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.549 -0.908 . . . . 1.53 108.549 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.86 66.98 2.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.483 0.658 . . . . 1.81 111.373 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tp -175.07 -45.2 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.322 -0.854 . . . . 1.24 110.897 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -91.99 -55.94 3.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.369 0.668 . . . . 1.73 111.354 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.23 128.35 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.732 0.413 . . . . 1.06 110.926 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -135.44 49.46 2.17 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.908 0.385 . . . . 2.26 111.728 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.51 83.51 0.47 Allowed 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.215 0.531 . . . . 1.74 110.724 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.3 tttp . . . . . 0 N--CA 1.474 0.734 0 CA-C-N 115.697 -0.683 . . . . 1.71 110.251 -179.369 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 113.11 0.781 . . . . 1.75 113.11 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.67 138.88 49.58 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.113 0.415 . . . . 0.78 111.149 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 100.92 8.87 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.6 0.238 . . . . 0.69 110.677 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -92.66 145.12 29.78 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.67 0.788 . . . . 1.1 111.501 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.44 126.53 15.72 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.426 2.084 . . . . 0.83 113.044 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.3 mt -122.15 -137.05 0.31 Allowed 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 118.797 -0.62 . . . . 1.24 110.495 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -78.89 162.82 25.77 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.363 0.983 . . . . 1.06 111.091 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -36.17 -54.44 0.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.46 1.282 . . . . 1.51 114.46 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.73 -40.77 72.57 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.097 0.406 . . . . 0.65 112.097 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.448 0.299 . . . . 0.95 111.62 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -76.49 -30.84 57.41 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.428 0.691 . . . . 0.85 111.328 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -58.01 -55.11 39.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.795 0.438 . . . . 0.56 111.516 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.36 -19.94 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 123.16 0.287 . . . . 0.53 111.655 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -77.91 -36.79 49.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.195 0.598 . . . . 1.0 110.804 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 17.0 m -59.32 -37.74 78.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.758 0.423 . . . . 0.88 111.82 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.47 -35.73 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 122.232 0.213 . . . . 0.56 111.57 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -81.56 -12.7 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 112.345 0.498 . . . . 0.97 112.345 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -105.98 -33.59 7.87 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.839 0.681 . . . . 0.67 112.839 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -70.56 -37.7 74.04 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.326 0.491 . . . . 0.69 112.326 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -110.13 26.43 10.68 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.385 0.513 . . . . 1.02 112.385 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -76.92 -36.19 56.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.252 0.221 . . . . 3.08 110.503 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -58.75 -33.66 70.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.148 0.579 . . . . 1.37 111.825 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -88.12 -39.59 14.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.91 0.484 . . . . 1.54 111.426 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.45 85.24 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.486 0.921 . . . . 0.85 113.486 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -73.61 -20.51 60.58 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 113.349 0.87 . . . . 1.73 113.349 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -52.18 -47.54 65.48 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.606 0.762 . . . . 1.68 112.922 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.7 -169.72 1.88 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 122.586 0.354 . . . . 1.45 110.622 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.54 139.93 25.88 Favored Glycine 0 C--N 1.361 1.971 0 N-CA-C 114.625 0.61 . . . . 0.86 114.625 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 63.29 139.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.123 0.969 . . . . 2.62 111.834 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -76.08 -47.43 24.6 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.489 0.315 . . . . 1.11 111.721 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.93 52.81 1.18 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.9 0.381 . . . . 1.36 110.441 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.8 t -153.21 115.34 4.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.797 0.439 . . . . 1.13 110.644 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.65 147.32 37.6 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.264 0.225 . . . . 0.79 110.939 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -81.79 169.65 16.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.598 0.359 . . . . 0.69 111.503 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.98 -35.45 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 112.486 0.55 . . . . 0.71 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -107.33 39.59 1.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.73 0.3 . . . . 0.83 111.199 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.92 -48.08 2.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.474 0.31 . . . . 1.61 110.561 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.74 -34.07 77.03 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 122.983 0.177 . . . . 0.66 111.183 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -65.58 -40.48 92.78 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.483 0.313 . . . . 0.81 111.116 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.52 -31.99 71.63 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.271 0.229 . . . . 0.69 110.767 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.04 -35.87 66.81 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.484 0.314 . . . . 0.68 111.129 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.495 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 78.7 t -76.29 -22.99 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 122.465 0.306 . . . . 0.48 111.757 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -106.27 34.44 3.36 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 118.024 0.374 . . . . 0.83 111.197 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -161.19 -53.16 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.96 0.356 . . . . 0.98 111.96 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -107.62 -11.69 15.4 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.836 0.68 . . . . 0.73 112.836 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 2.2 tp -138.0 46.49 1.31 Allowed Pre-proline 0 CA--C 1.561 1.382 0 CA-C-N 118.138 0.427 . . . . 0.62 111.482 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.71 -36.46 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.63 2.22 . . . . 0.48 115.154 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -79.41 -19.78 49.17 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.055 0.761 . . . . 0.81 113.055 -178.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.5 tp -72.81 -60.7 2.11 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.057 0.389 . . . . 0.88 110.557 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -84.01 115.69 22.46 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.788 -0.819 . . . . 0.7 108.788 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.17 -36.01 65.41 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.015 0.746 . . . . 1.23 113.015 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.54 101.85 12.49 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 122.542 0.337 . . . . 1.94 110.575 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -88.15 -32.71 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 116.499 -0.319 . . . . 0.6 111.168 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.1 -35.73 8.0 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 119.806 -0.441 . . . . 0.67 112.711 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -90.52 73.84 6.84 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.142 0.471 . . . . 0.92 110.508 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -6.83 23.11 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.85 -0.614 . . . . 1.24 111.556 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.12 -27.45 69.09 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.367 0.506 . . . . 0.73 112.367 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.86 -42.14 98.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.684 0.393 . . . . 1.1 110.904 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.0 -26.01 21.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 119.381 -0.342 . . . . 1.47 111.611 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.33 -39.4 86.93 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.124 0.416 . . . . 0.81 112.124 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -69.13 -34.33 74.85 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.684 0.22 . . . . 2.39 110.53 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -71.32 -37.93 71.73 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 109.941 -0.392 . . . . 0.63 109.941 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' B' ' 79' ' ' LEU . 22.5 mt -68.11 -46.23 71.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.0 0.52 . . . . 0.69 111.17 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.95 72.71 9.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.84 0.352 . . . . 1.32 110.398 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.45 -35.08 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.72 110.807 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -80.58 -31.49 36.79 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.092 0.557 . . . . 1.38 110.811 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 59.95 79.31 0.24 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.058 0.943 . . . . 2.02 111.753 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.57 33.99 0.95 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.676 -0.693 . . . . 1.3 110.871 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m 68.5 -59.6 0.45 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.494 1.118 . . . . 1.35 112.507 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -73.7 157.4 36.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.739 0.415 . . . . 2.4 110.849 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.86 100.11 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.395 0.278 . . . . 1.13 110.263 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -65.32 162.88 16.59 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.647 0.379 . . . . 1.81 110.307 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -28.07 69.62 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 118.21 0.459 . . . . 1.23 111.27 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -69.06 -37.19 78.39 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.782 -0.451 . . . . 0.99 109.782 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.92 -28.69 25.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.889 0.476 . . . . 0.93 110.693 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.461 ' HA ' HD22 ' B' ' 63' ' ' LEU . 52.1 t80 -81.41 -6.09 58.57 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.298 0.639 . . . . 0.71 111.415 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -19.24 61.99 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.355 0.662 . . . . 1.54 112.535 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -65.82 -29.44 69.91 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.342 0.257 . . . . 2.15 111.614 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.1 tp -92.24 -37.21 12.8 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 119.458 -0.306 . . . . 0.49 110.491 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.91 -35.98 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 110.255 -0.276 . . . . 0.56 110.255 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.37 90.84 Favored Glycine 0 C--N 1.353 1.528 0 N-CA-C 111.516 -0.634 . . . . 0.42 111.516 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.48 -28.4 67.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.713 0.405 . . . . 0.91 110.986 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.68 -53.68 54.55 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.545 0.338 . . . . 0.69 110.533 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.87 57.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.09 0.774 . . . . 0.55 113.09 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.94 -44.27 11.15 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.12 0.418 . . . . 1.1 111.316 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.63 -14.71 61.66 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.795 0.665 . . . . 1.68 112.795 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -61.35 -43.14 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 117.895 0.316 . . . . 0.63 111.661 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.61 -33.69 18.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.001 0.371 . . . . 1.64 112.001 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -145.72 90.17 1.97 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.655 0.613 . . . . 1.65 112.655 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -35.41 25.0 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.038 -0.727 . . . . 2.03 109.038 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -132.81 84.48 2.14 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.289 -1.004 . . . . 1.36 108.289 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.28 65.62 4.5 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 121.309 0.576 . . . . 1.72 111.07 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 tp -161.8 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.533 -0.758 . . . . 1.27 110.685 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -91.1 -56.52 3.13 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.519 0.327 . . . . 1.61 110.498 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 pt -103.47 130.12 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 122.661 0.384 . . . . 1.04 110.383 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.92 9.58 5.38 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.076 0.769 . . . . 2.42 113.076 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 119.46 3.84 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 117.959 0.345 . . . . 1.86 111.386 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.173 -0.918 . . . . 1.85 110.584 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.068 0.461 . . . . 2.71 111.538 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.74 170.21 20.31 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.191 -0.459 . . . . 1.02 111.897 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.32 98.37 9.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.885 0.474 . . . . 0.7 111.057 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -113.67 133.21 22.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 122.843 0.457 . . . . 1.02 110.593 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.07 147.5 21.0 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.972 2.448 . . . . 0.74 114.137 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.7 mt -138.93 -69.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.836 0.454 . . . . 1.19 111.041 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.6 p -107.13 174.49 5.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.098 0.559 . . . . 0.98 110.695 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.68 -45.55 91.75 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.453 0.538 . . . . 1.42 112.453 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.31 -39.67 62.72 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.592 0.219 . . . . 0.65 111.592 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.03 -34.09 77.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 110.35 -0.241 . . . . 1.03 110.35 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.03 -31.3 70.87 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 122.801 0.44 . . . . 0.81 111.198 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -63.47 -58.07 8.21 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.816 0.28 . . . . 0.63 111.125 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.08 -27.69 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 111.933 0.345 . . . . 0.56 111.933 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -71.75 -41.5 68.35 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.03 0.532 . . . . 1.0 110.786 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -61.23 -34.49 75.21 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.941 0.497 . . . . 0.77 111.825 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.8 t -69.32 -31.9 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 117.767 0.258 . . . . 0.5 110.85 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.71 -50.2 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.69 0.396 . . . . 0.95 110.444 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -59.99 -46.44 89.47 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.202 1.186 . . . . 0.62 114.202 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -64.43 -42.73 95.86 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.438 0.903 . . . . 0.66 113.438 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -87.64 -32.33 19.33 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.375 0.88 . . . . 0.95 113.375 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.72 -16.87 64.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.73 0.641 . . . . 3.17 112.73 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -61.98 -32.59 73.06 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 117.68 0.218 . . . . 1.37 110.633 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -105.26 -26.62 11.95 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.101 0.561 . . . . 1.55 111.806 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -20.89 61.74 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.546 0.943 . . . . 0.83 113.546 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -68.17 -14.27 62.85 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.196 0.813 . . . . 1.55 113.196 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -71.34 -44.47 65.0 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.398 0.518 . . . . 1.8 112.398 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.13 -178.04 6.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.314 0.246 . . . . 1.59 111.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.8 133.3 40.38 Favored Glycine 0 C--N 1.36 1.872 0 N-CA-C 114.325 0.49 . . . . 0.92 114.325 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 65.11 134.98 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.189 0.996 . . . . 2.6 112.173 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.35 -29.52 34.08 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.069 -0.514 . . . . 1.22 111.483 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -84.12 -13.7 52.27 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.917 0.487 . . . . 1.43 112.141 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 72' ' ' LYS . 22.6 t -97.89 152.87 18.77 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 112.442 0.534 . . . . 1.09 112.442 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.16 152.5 20.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.587 -0.733 . . . . 0.76 109.765 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 t -83.06 147.88 27.87 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 110.336 -0.246 . . . . 0.68 110.336 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.66 -22.37 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 113.404 0.89 . . . . 0.64 113.404 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -101.07 -29.32 12.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.259 0.466 . . . . 0.82 112.259 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.1 -37.53 66.69 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 112.26 0.467 . . . . 1.54 112.26 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -66.19 -38.25 87.55 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.691 0.223 . . . . 0.65 110.603 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.45 -40.01 92.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.564 0.346 . . . . 0.87 110.841 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.09 -34.32 77.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.411 0.284 . . . . 0.73 111.093 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.48 -37.94 88.3 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.723 0.409 . . . . 0.65 110.807 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.98 -32.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.955 0.502 . . . . 0.45 111.425 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -100.76 28.69 4.99 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 122.403 0.281 . . . . 0.8 111.678 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -153.48 -58.38 0.13 Allowed 'General case' 0 C--N 1.36 1.043 0 N-CA-C 112.151 0.426 . . . . 1.1 112.151 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -104.06 -14.99 15.71 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.444 0.905 . . . . 0.84 113.444 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.52 51.69 5.23 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 118.165 0.439 . . . . 0.67 112.151 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -85.41 -32.86 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.232 1.954 . . . . 0.52 114.782 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -69.27 -39.64 78.27 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.51 0.559 . . . . 0.85 112.51 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.61 -56.07 16.28 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.565 0.346 . . . . 0.87 111.517 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.2 mt -93.5 106.08 18.08 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.408 -0.59 . . . . 0.73 109.408 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -60.79 -29.22 69.31 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.581 0.586 . . . . 1.32 112.581 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.32 71.65 5.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 122.397 0.279 . . . . 2.08 111.351 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.5 -38.21 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 116.915 -0.13 . . . . 0.71 111.175 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.64 -28.55 18.75 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-O 119.782 -0.455 . . . . 0.83 112.732 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -99.17 53.08 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-O 121.009 0.433 . . . . 0.85 110.883 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -17.19 38.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.79 0.436 . . . . 1.22 111.379 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.86 -32.79 33.62 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.612 0.968 . . . . 0.77 113.612 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.07 -39.7 93.32 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.876 0.307 . . . . 1.09 110.889 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.71 -30.92 18.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.554 0.342 . . . . 1.55 111.191 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.4 ttp -58.48 -40.23 82.16 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.912 0.485 . . . . 0.84 111.476 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -66.79 -34.46 77.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 122.993 0.183 . . . . 2.56 110.902 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 m -71.09 -34.97 71.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.911 0.484 . . . . 0.61 111.796 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 79' ' ' LEU . 80.1 mt -67.79 -59.17 3.52 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.389 0.276 . . . . 0.68 111.129 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.21 74.6 10.42 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 121.083 0.468 . . . . 1.39 110.558 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.35 -27.25 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 CA-C-N 115.633 -0.712 . . . . 0.73 111.032 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.73 -19.72 63.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.37 0.668 . . . . 1.44 112.335 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 61.79 60.06 1.65 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.843 0.857 . . . . 1.96 112.175 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -144.02 16.4 1.74 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.148 -0.478 . . . . 1.41 112.034 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.1 m 55.39 29.84 13.84 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 113.215 0.82 . . . . 1.31 113.215 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.58 116.92 16.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.887 0.475 . . . . 2.42 110.058 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.89 77.31 1.84 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.758 0.313 . . . . 0.95 111.556 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 7.1 ttpm? -68.96 159.43 32.75 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 118.683 -0.675 . . . . 1.89 109.753 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -28.67 48.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.905 0.705 . . . . 1.2 112.905 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.07 -32.77 73.34 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 109.824 -0.436 . . . . 0.98 109.824 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.25 -40.15 11.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.921 0.888 . . . . 1.03 110.762 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.71 ' HA ' HD22 ' A' ' 63' ' ' LEU . 44.4 t80 -68.59 -16.36 63.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.852 0.861 . . . . 0.69 111.709 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -27.55 16.18 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.788 0.835 . . . . 1.62 112.387 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.635 ' HB2' HD23 ' A' ' 63' ' ' LEU . 13.7 mmm-85 -62.15 -34.51 76.53 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.884 0.473 . . . . 1.96 111.343 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.736 ' HB2' HD21 ' A' ' 63' ' ' LEU . 22.3 tp -88.93 -28.92 19.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.337 0.255 . . . . 0.53 110.508 178.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mm -59.79 -37.42 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.842 0.457 . . . . 0.61 110.469 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.88 87.63 Favored Glycine 0 C--N 1.354 1.531 0 N-CA-C 111.598 -0.601 . . . . 0.47 111.598 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -22.94 62.9 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.77 0.428 . . . . 0.86 111.249 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.51 -43.52 89.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.379 0.672 . . . . 0.67 111.004 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . . . -93.94 -18.55 21.81 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.732 0.641 . . . . 0.55 112.732 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -77.5 -48.6 16.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.821 0.282 . . . . 0.96 110.786 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.09 -30.94 69.57 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.447 0.906 . . . . 1.65 113.447 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -38.59 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 118.894 0.77 . . . . 0.66 111.517 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -102.24 10.2 39.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.719 0.637 . . . . 1.74 112.719 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt 179.76 63.89 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.394 0.678 . . . . 1.52 111.288 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -42.48 29.24 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 122.382 -0.199 . . . . 1.87 111.115 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.57 65.79 1.33 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.449 -0.945 . . . . 1.53 108.449 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.29 68.09 0.73 Allowed 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 121.262 0.553 . . . . 1.81 111.517 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.34 -48.71 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.876 0.871 . . . . 1.24 109.932 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -87.89 -55.05 3.93 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.103 0.561 . . . . 1.73 110.732 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 pt -115.29 138.7 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 1.06 110.064 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -143.36 37.93 1.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.313 0.486 . . . . 2.26 112.313 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 90.76 0.4 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.329 0.252 . . . . 1.74 111.451 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 tttp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.018 0.437 . . . . 1.71 110.609 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 112.472 0.545 . . . . 1.75 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 160.44 14.53 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.821 0.448 . . . . 0.78 110.57 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.565 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -93.17 111.11 22.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.124 0.169 . . . . 0.69 111.429 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -104.48 142.29 24.31 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.046 0.539 . . . . 1.1 111.573 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.11 128.85 30.32 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.203 2.602 . . . . 0.83 114.121 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -135.19 -153.3 0.51 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.294 0.638 . . . . 1.24 110.509 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -56.41 159.8 3.46 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.915 0.78 . . . . 1.06 110.796 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.17 -46.78 12.29 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.558 0.947 . . . . 1.51 113.558 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.35 -41.36 73.25 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.811 0.301 . . . . 0.65 111.811 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.77 -24.48 60.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.565 0.346 . . . . 0.95 111.515 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -84.1 -31.19 25.41 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.464 0.706 . . . . 0.85 111.448 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -59.26 -51.54 69.51 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.858 0.299 . . . . 0.56 110.955 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.423 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -69.82 -23.87 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 111.948 0.351 . . . . 0.53 111.948 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.565 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 0.9 OUTLIER -72.97 -38.23 66.78 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.995 0.518 . . . . 1.0 111.061 178.371 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -59.07 -35.68 73.78 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.41 0.522 . . . . 0.88 112.41 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.65 -31.06 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 122.311 0.244 . . . . 0.56 110.683 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 50.3 t -74.34 -58.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.015 0.526 . . . . 0.97 110.686 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -58.6 -35.61 72.72 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.822 1.045 . . . . 0.67 113.822 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -42.15 82.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 119.373 -0.346 . . . . 0.69 111.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -111.11 26.07 11.09 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.087 0.773 . . . . 1.02 113.087 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -80.55 -40.38 26.01 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.422 0.556 . . . . 3.08 109.897 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 28.6 m -59.9 -31.21 69.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.861 0.464 . . . . 1.37 111.004 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.34 -32.84 19.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.737 0.415 . . . . 1.54 111.039 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.68 -23.96 58.71 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.792 0.664 . . . . 0.85 112.792 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -86.3 5.11 36.06 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 112.832 0.678 . . . . 1.73 112.832 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.02 -44.4 20.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.552 0.341 . . . . 1.68 111.503 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -107.81 176.72 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.719 0.408 . . . . 1.45 111.219 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.2 123.61 0.01 OUTLIER Glycine 0 C--N 1.362 2.0 0 N-CA-C 116.736 1.454 . . . . 0.86 116.736 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 65.28 146.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.333 1.053 . . . . 2.62 112.616 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -80.77 -36.0 32.45 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.115 -0.493 . . . . 1.11 110.512 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.59 46.59 0.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.012 0.525 . . . . 1.36 110.104 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.72 139.0 18.41 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.959 0.504 . . . . 1.13 110.878 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.2 153.23 18.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.892 0.477 . . . . 0.79 110.624 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -83.88 164.67 19.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.279 0.232 . . . . 0.69 110.676 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.95 -27.4 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 112.54 0.57 . . . . 0.71 112.54 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -95.45 -32.45 12.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.179 0.437 . . . . 0.83 112.179 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.18 -41.07 77.67 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.738 0.644 . . . . 1.61 112.738 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.57 -35.87 79.85 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 111.52 0.193 . . . . 0.66 111.52 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.711 0.404 . . . . 0.81 110.819 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.06 -32.71 74.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.533 0.333 . . . . 0.69 110.777 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.73 -37.65 70.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.874 0.47 . . . . 0.68 111.003 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.39 -29.12 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.609 0.364 . . . . 0.48 111.091 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.22 40.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.641 0.257 . . . . 0.83 111.103 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -159.85 -57.15 0.06 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 122.255 -0.278 . . . . 0.98 111.521 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -109.21 -13.38 14.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.462 0.542 . . . . 0.73 112.462 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 tp -133.29 42.54 0.86 Allowed Pre-proline 0 CA--C 1.566 1.591 0 N-CA-C 112.417 0.525 . . . . 0.62 112.417 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.09 -38.3 0.45 Allowed 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.069 1.846 . . . . 0.48 114.799 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -72.61 -22.21 61.0 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.525 0.565 . . . . 0.81 112.525 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 tp -73.03 -64.88 0.88 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 117.844 0.293 . . . . 0.88 110.785 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.33 99.59 12.09 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.682 -0.859 . . . . 0.7 108.682 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -45.86 -41.41 11.18 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.327 0.862 . . . . 1.23 113.327 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -91.32 85.2 5.74 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 110.223 -0.288 . . . . 1.94 110.223 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.76 -30.5 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 112.319 0.488 . . . . 0.6 112.319 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.76 -48.09 6.36 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.695 -0.503 . . . . 0.67 113.393 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -99.69 63.04 1.21 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 117.037 0.419 . . . . 0.92 110.691 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -95.41 67.87 2.95 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.937 -0.764 . . . . 1.24 108.937 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.15 -32.85 5.21 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.171 -0.922 . . . . 0.73 111.403 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.45 -40.29 86.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.663 0.385 . . . . 1.1 110.876 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.66 -42.9 23.82 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 122.585 0.354 . . . . 1.47 110.289 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' MET . . . . . 0.516 ' HA ' HD12 ' B' ' 63' ' ' LEU . 42.9 ttp -49.84 -38.24 34.13 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.922 0.712 . . . . 0.81 112.922 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -73.2 -40.58 64.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.231 0.212 . . . . 2.39 111.105 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -71.42 -25.58 62.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.73 0.412 . . . . 0.63 111.392 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.537 HD11 HD13 ' B' ' 79' ' ' LEU . 52.6 mt -72.38 -61.83 1.66 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.885 0.474 . . . . 0.69 110.674 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -90.05 84.23 6.14 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.753 0.421 . . . . 1.32 109.972 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 p -89.54 -21.27 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.672 -0.695 . . . . 0.72 111.971 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -76.0 -21.0 57.37 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 112.628 0.603 . . . . 1.38 112.628 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.88 61.0 1.73 Allowed 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.475 0.71 . . . . 2.02 111.313 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.36 15.44 2.58 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.328 0.492 . . . . 1.3 112.328 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 60.32 27.66 17.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.507 0.723 . . . . 1.35 112.686 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -134.73 127.22 30.56 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.655 0.382 . . . . 2.4 110.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.55 73.44 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.983 0.42 . . . . 1.13 110.38 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.06 171.32 1.29 Allowed 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.019 -0.734 . . . . 1.81 109.019 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 84' ' ' ALA . 1.2 t80 -65.79 -19.75 66.0 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.492 1.042 . . . . 1.23 111.693 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -77.42 -32.01 54.4 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.547 -0.538 . . . . 0.99 109.547 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -86.2 -43.8 12.7 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.639 0.776 . . . . 0.93 110.068 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.414 ' HA ' HD22 ' B' ' 63' ' ' LEU . 11.3 t80 -69.48 -13.95 62.62 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.845 0.858 . . . . 0.71 111.271 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -39.39 -40.08 0.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.602 1.561 . . . . 1.54 113.185 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.446 ' HB2' HD23 ' B' ' 63' ' ' LEU . 2.5 mmt-85 -69.57 -32.1 70.67 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.752 1.019 . . . . 2.15 113.752 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.537 HD13 HD11 ' B' ' 63' ' ' LEU . 3.8 tp -75.59 -35.84 60.47 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.753 0.706 . . . . 0.49 111.682 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.3 mm -61.57 -38.17 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.185 -0.672 . . . . 0.56 109.185 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.63 -43.37 52.4 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 111.44 -0.664 . . . . 0.42 111.44 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.01 -22.42 62.16 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.495 0.318 . . . . 0.91 111.491 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -52.41 63.85 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.994 0.518 . . . . 0.69 109.791 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.541 ' O ' HG22 ' B' ' 87' ' ' ILE . . . -77.13 -29.3 54.66 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.929 -0.578 . . . . 0.55 111.899 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.46 -27.47 65.26 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.76 0.254 . . . . 1.1 110.87 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -100.62 31.18 3.59 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 122.628 0.371 . . . . 1.68 111.927 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.541 HG22 ' O ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -111.4 -37.11 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.999 0.519 . . . . 0.63 110.422 178.218 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -43.41 2.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 122.683 0.393 . . . . 1.64 111.267 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -104.89 41.68 1.31 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 112.045 0.387 . . . . 1.65 112.045 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -38.53 66.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.437 0.295 . . . . 2.03 111.012 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -141.71 70.6 1.34 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.397 0.679 . . . . 1.36 109.466 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.95 -24.96 67.31 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.716 1.006 . . . . 1.72 113.716 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 mp -87.21 -44.45 11.45 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.375 0.509 . . . . 1.27 112.375 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -75.28 -60.66 2.2 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.193 0.442 . . . . 1.61 112.193 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.7 pt -109.68 143.1 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.777 0.431 . . . . 1.04 111.234 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -149.23 30.82 0.76 Allowed 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 113.685 0.994 . . . . 2.42 113.685 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -164.84 78.45 0.33 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.071 0.463 . . . . 1.86 111.547 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.054 -0.974 . . . . 1.85 110.67 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.292 0.567 . . . . 2.71 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.31 152.68 39.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.487 -0.779 . . . . 1.02 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB3' HG23 ' A' ' 18' ' ' THR . . . -86.56 108.06 18.41 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.709 -0.223 . . . . 0.7 111.261 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -127.88 143.71 48.73 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 123.213 0.605 . . . . 1.02 110.691 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.2 145.82 15.46 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.636 2.224 . . . . 0.74 114.144 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -139.51 -62.03 0.53 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.081 0.552 . . . . 1.19 111.904 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -117.77 163.58 16.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.561 0.744 . . . . 0.98 110.544 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.72 -49.5 70.6 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.67 0.619 . . . . 1.42 112.67 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.36 -37.58 63.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 117.918 0.326 . . . . 0.65 111.68 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -63.68 -38.35 90.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.262 0.225 . . . . 1.03 110.434 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.07 -35.76 80.53 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.483 0.713 . . . . 0.81 111.644 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -55.68 -57.03 13.68 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.346 0.258 . . . . 0.63 111.14 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -71.71 -21.57 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 112.222 0.453 . . . . 0.56 112.222 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.19 -36.26 35.18 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.132 0.573 . . . . 1.0 111.979 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.67 -33.69 76.54 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.432 0.293 . . . . 0.77 111.686 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.38 -33.98 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.545 0.338 . . . . 0.5 111.048 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.53 -45.84 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 119.299 -0.381 . . . . 0.95 111.357 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.711 0.634 . . . . 0.62 112.711 -179.52 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -62.46 -42.1 99.24 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 111.577 0.214 . . . . 0.66 111.577 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -112.33 42.8 1.73 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.683 0.278 . . . . 0.95 111.071 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -91.92 -41.75 10.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.783 0.433 . . . . 3.17 110.342 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -61.81 -34.24 75.56 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.14 0.576 . . . . 1.37 111.506 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -79.19 -38.18 36.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.509 0.324 . . . . 1.55 111.134 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.25 71.32 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.787 0.662 . . . . 0.83 112.787 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -79.48 -11.86 59.89 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 112.339 0.496 . . . . 1.55 112.339 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.35 -46.39 83.68 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.334 0.254 . . . . 1.8 111.086 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -93.07 -179.88 5.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.669 0.388 . . . . 1.59 110.606 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.24 139.11 26.19 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.501 0.961 . . . . 0.92 115.501 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 68.06 137.6 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.649 1.18 . . . . 2.6 112.409 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -74.52 -37.7 63.0 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.233 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -97.91 44.99 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.661 0.384 . . . . 1.43 110.423 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 t -146.84 141.1 26.27 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 112.323 0.49 . . . . 1.09 112.323 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -101.99 160.84 14.15 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.244 -0.65 . . . . 0.76 109.244 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -97.0 162.6 13.31 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.634 0.235 . . . . 0.68 111.634 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.01 -31.37 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.039 0.536 . . . . 0.64 112.085 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -91.83 -30.67 16.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.817 0.447 . . . . 0.82 110.945 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -69.51 -36.46 76.49 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.381 0.511 . . . . 1.54 112.381 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -38.36 71.83 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.882 -0.414 . . . . 0.65 109.882 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.02 -39.96 95.27 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 122.739 0.416 . . . . 0.87 110.783 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.21 -31.6 70.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.568 0.347 . . . . 0.73 110.736 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.0 -32.16 70.2 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.752 0.421 . . . . 0.65 111.612 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.8 t -82.83 -26.17 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.159 0.583 . . . . 0.45 111.419 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.05 32.99 4.2 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.787 0.292 . . . . 0.8 111.787 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -157.65 -58.74 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 O-C-N 122.03 -0.419 . . . . 1.1 112.109 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -104.25 -12.54 16.59 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.541 0.571 . . . . 0.84 112.541 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.09 44.72 1.1 Allowed Pre-proline 0 CA--C 1.567 1.606 0 N-CA-C 112.457 0.54 . . . . 0.67 112.457 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -82.87 -28.66 1.56 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 122.592 2.195 . . . . 0.52 114.614 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -76.27 -27.4 56.67 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.485 0.55 . . . . 0.85 112.485 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.66 -62.71 1.32 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.614 0.188 . . . . 0.87 111.157 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -85.56 110.88 19.54 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 108.932 -0.766 . . . . 0.73 108.932 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -31.8 69.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.57 0.581 . . . . 1.32 112.57 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.14 92.16 8.84 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.481 -0.563 . . . . 2.08 109.481 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.24 -18.09 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 112.89 0.7 . . . . 0.71 112.89 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.2 -60.46 0.75 Allowed Glycine 0 C--N 1.355 1.62 0 CA-C-N 117.932 0.333 . . . . 0.83 113.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 t -83.66 88.81 7.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.956 0.354 . . . . 0.85 111.956 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.74 27.86 8.06 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.408 . . . . 1.22 111.383 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.04 -26.23 63.0 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 122.096 -0.377 . . . . 0.77 111.537 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.1 -36.09 72.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.714 0.406 . . . . 1.09 111.339 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -94.37 -22.76 18.12 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.308 0.484 . . . . 1.55 112.308 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 51.0 ttp -65.25 -43.07 92.51 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.341 0.519 . . . . 0.84 110.643 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -69.87 -34.93 74.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.226 0.329 . . . . 2.56 110.388 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.6 m -69.37 -36.23 76.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.771 0.429 . . . . 0.61 110.574 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 79' ' ' LEU . 20.8 mt -66.61 -61.66 1.86 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.192 0.597 . . . . 0.68 110.705 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.43 82.43 8.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.661 0.384 . . . . 1.39 110.979 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -96.95 -26.73 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.101 -0.499 . . . . 0.73 110.973 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -77.71 -33.48 53.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.212 0.605 . . . . 1.44 111.507 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 68.64 58.89 0.39 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.313 1.045 . . . . 1.96 112.434 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.0 14.7 5.23 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.907 -0.588 . . . . 1.41 111.157 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t 76.53 -52.78 0.59 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.413 1.085 . . . . 1.31 112.199 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.73 125.16 28.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.493 0.317 . . . . 2.42 111.232 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -90.68 88.74 7.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.436 0.295 . . . . 0.95 110.505 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -66.21 165.1 14.41 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 119.358 -0.353 . . . . 1.89 110.443 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.9 -25.04 60.29 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.314 0.506 . . . . 1.2 112.325 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -72.09 -30.3 64.96 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.799 -0.445 . . . . 0.98 109.799 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -37.12 22.68 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.366 0.666 . . . . 1.03 109.801 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.27 -21.44 61.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.1 0.56 . . . . 0.69 110.788 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -51.02 -35.35 33.75 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.74 1.216 . . . . 1.62 112.986 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -63.37 -39.43 94.5 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.262 0.467 . . . . 1.96 112.262 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' HB2' HD21 ' A' ' 63' ' ' LEU . 25.5 tp -74.02 -26.02 60.2 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.536 -0.268 . . . . 0.53 111.475 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.9 mm -65.44 -34.66 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 110.143 -0.317 . . . . 0.61 110.143 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.51 -47.24 91.77 Favored Glycine 0 C--N 1.358 1.765 0 N-CA-C 112.497 -0.241 . . . . 0.47 112.497 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.07 -17.11 57.4 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.768 0.427 . . . . 0.86 111.876 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -61.37 -50.07 74.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.505 0.722 . . . . 0.67 111.445 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.608 ' HB3' ' CZ ' ' B' ' 73' ' ' PHE . . . -88.66 -16.67 31.78 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.181 0.437 . . . . 0.55 112.181 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -78.16 -26.76 47.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.564 0.346 . . . . 0.96 111.289 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.65 -15.19 24.19 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.603 0.964 . . . . 1.65 113.603 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -61.67 -38.56 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 118.913 0.779 . . . . 0.66 111.618 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -97.78 -35.5 10.51 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.175 0.435 . . . . 1.74 112.175 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -137.77 68.98 1.4 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.387 0.514 . . . . 1.52 112.387 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -34.56 77.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 122.3 -0.25 . . . . 1.87 110.609 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -131.62 85.06 2.22 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.65 -0.87 . . . . 1.53 108.65 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.92 70.76 5.31 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 1.81 111.996 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 tp -176.44 -46.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.503 -0.771 . . . . 1.24 110.579 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -85.05 -53.46 5.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.126 0.571 . . . . 1.73 110.86 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.47 132.89 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 122.99 0.516 . . . . 1.06 110.855 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -145.52 40.61 1.21 Allowed 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.717 0.636 . . . . 2.26 112.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -168.79 94.49 0.34 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.045 0.45 . . . . 1.74 111.344 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-N 116.312 -0.404 . . . . 1.71 110.313 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.479 0.548 . . . . 1.75 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.72 129.58 42.72 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 122.675 0.39 . . . . 0.78 111.079 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.544 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -71.65 108.38 4.97 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.628 -0.26 . . . . 0.69 111.525 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -98.35 143.31 26.06 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.21 0.604 . . . . 1.1 110.978 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -59.16 129.37 31.34 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.918 2.412 . . . . 0.83 113.725 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 mt -133.45 -133.98 0.17 Allowed 'General case' 0 CA--C 1.564 1.496 0 CA-C-O 118.948 -0.548 . . . . 1.24 110.557 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -68.12 163.32 22.8 Favored 'General case' 0 C--N 1.368 1.381 0 CA-C-N 119.172 0.896 . . . . 1.06 110.866 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.32 -43.07 53.66 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.035 0.754 . . . . 1.51 113.035 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.83 -41.94 58.96 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.712 0.233 . . . . 0.65 110.952 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.62 -30.67 68.45 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.745 0.418 . . . . 0.95 110.976 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.99 -31.43 62.96 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.553 0.741 . . . . 0.85 111.355 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -61.78 -53.5 55.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.527 0.331 . . . . 0.56 111.081 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.31 -21.1 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 122.443 0.297 . . . . 0.53 111.463 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.544 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 5.2 tm-20 -78.52 -37.68 42.43 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.388 0.675 . . . . 1.0 110.811 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 26.8 m -57.57 -39.55 77.0 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.995 0.518 . . . . 0.88 111.551 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.72 -29.1 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.495 0.318 . . . . 0.56 111.064 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.4 -22.7 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.969 0.507 . . . . 0.97 111.823 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 30.6 p -97.62 -11.66 23.34 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.865 0.691 . . . . 0.67 112.865 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -98.39 -56.76 2.37 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.188 0.44 . . . . 0.69 112.188 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' B' ' 41' ' ' LEU . 67.5 t80 -94.73 -41.63 9.16 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.81 1.041 . . . . 1.02 113.81 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.08 -16.69 20.48 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.137 0.791 . . . . 3.08 113.137 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -68.98 -39.39 79.42 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.719 -0.475 . . . . 1.37 109.719 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -83.28 -16.0 47.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.268 0.627 . . . . 1.54 111.834 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 5.29 20.0 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.13 1.159 . . . . 0.85 114.13 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -81.85 -1.11 46.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.451 0.537 . . . . 1.73 112.451 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -64.11 -50.77 66.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.713 0.405 . . . . 1.68 112.082 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.03 -178.98 6.68 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 110.34 -0.245 . . . . 1.45 110.34 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.66 143.6 17.83 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.692 0.637 . . . . 0.86 114.692 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? 66.79 148.52 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.088 0.955 . . . . 2.62 112.795 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -91.84 -37.67 12.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.817 -0.629 . . . . 1.11 110.114 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -90.01 52.79 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.427 0.632 . . . . 1.36 110.408 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.5 p -152.57 156.95 40.32 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.576 -0.738 . . . . 1.13 110.584 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.61 132.69 53.98 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.675 -0.491 . . . . 0.79 109.675 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.5 t -64.1 143.94 57.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.453 0.301 . . . . 0.69 111.788 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.53 -21.73 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 113.196 0.814 . . . . 0.71 113.196 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -97.2 -32.74 11.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.602 0.361 . . . . 0.83 111.646 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.48 -33.08 48.47 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.156 0.799 . . . . 1.61 113.156 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -65.51 -33.09 75.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.483 0.583 . . . . 0.66 111.619 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.47 -38.6 74.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 0.81 111.009 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.35 -29.43 61.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.42 0.288 . . . . 0.69 111.42 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' B' ' 20' ' ' PHE . 50.4 tp -63.33 -44.61 94.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.584 0.353 . . . . 0.68 111.054 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.94 -20.17 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.853 0.461 . . . . 0.48 111.832 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -89.12 -19.01 26.07 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.683 0.623 . . . . 0.83 112.683 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -113.94 -57.48 2.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.974 0.731 . . . . 0.98 112.974 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -96.49 -11.0 26.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.135 1.161 . . . . 0.73 114.135 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.422 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 tp -136.98 42.48 0.67 Allowed Pre-proline 0 CA--C 1.566 1.563 0 CA-C-N 119.067 0.849 . . . . 0.62 112.888 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 96.5 Cg_endo -82.41 -37.25 0.23 Allowed 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.255 1.97 . . . . 0.48 114.374 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -68.21 -34.23 75.87 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.341 0.497 . . . . 0.81 112.341 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 tp -68.44 -63.59 1.03 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.836 0.454 . . . . 0.88 111.17 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.67 109.62 19.31 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.7 109.318 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -57.31 -33.06 67.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.849 0.46 . . . . 1.23 112.144 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.46 84.25 7.72 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.759 -0.46 . . . . 1.94 109.759 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.76 -31.04 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 N-CA-C 112.812 0.671 . . . . 0.6 112.812 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.2 -41.7 5.46 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.038 -0.312 . . . . 0.67 113.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.9 t -100.97 81.73 2.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.602 0.361 . . . . 0.92 110.953 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.08 1.58 47.14 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.439 0.533 . . . . 1.24 112.439 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.36 -30.48 62.72 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.007 0.743 . . . . 0.73 113.007 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -70.16 -39.84 75.09 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 122.356 0.263 . . . . 1.1 111.02 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.451 ' HB3' HD13 ' B' ' 79' ' ' LEU . 4.0 mptt -110.75 58.02 0.61 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.336 0.589 . . . . 1.47 109.683 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -141.89 -53.88 0.44 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.326 -0.852 . . . . 0.81 109.407 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -74.73 -34.53 62.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.752 0.421 . . . . 2.39 109.946 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 27.2 m -67.87 -34.76 77.3 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.111 0.564 . . . . 0.63 111.055 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' B' ' 79' ' ' LEU . 82.4 mt -68.17 -67.51 0.46 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.259 0.349 . . . . 0.69 110.456 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.07 86.56 4.89 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.944 0.402 . . . . 1.32 110.006 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -20.81 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 115.642 -0.708 . . . . 0.72 112.156 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.853 0.686 . . . . 1.38 112.853 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.67 53.39 6.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.197 0.599 . . . . 2.02 111.221 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.39 6.57 10.13 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.244 -0.435 . . . . 1.3 112.088 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.5 m 61.36 24.4 14.51 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.567 0.747 . . . . 1.35 112.24 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -141.92 107.49 5.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.538 0.735 . . . . 2.4 109.186 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.26 90.29 7.51 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.658 0.244 . . . . 1.13 111.658 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -70.98 -179.5 2.31 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.578 -0.897 . . . . 1.81 108.578 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 84' ' ' ALA . 1.7 t80 -71.07 -27.09 63.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.001 0.819 . . . . 1.23 111.428 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.68 -26.33 63.38 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 110.011 -0.366 . . . . 0.99 110.011 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.73 -47.39 7.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.5 0.72 . . . . 0.93 110.478 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.531 ' HA ' HD22 ' B' ' 63' ' ' LEU . 20.6 t80 -69.07 -14.83 63.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.458 0.703 . . . . 0.71 112.308 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -48.96 -31.42 7.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.342 1.057 . . . . 1.54 112.799 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.638 ' HB2' HD23 ' B' ' 63' ' ' LEU . 4.1 mmm-85 -63.79 -27.36 69.13 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.576 0.584 . . . . 2.15 112.576 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.682 ' HB2' HD21 ' B' ' 63' ' ' LEU . 13.3 tp -92.36 -33.19 14.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.076 0.398 . . . . 0.49 111.374 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -57.84 -39.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 109.987 -0.375 . . . . 0.56 109.987 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.47 -41.3 77.49 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 110.631 -0.987 . . . . 0.42 110.631 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.87 -24.25 66.82 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 122.778 0.431 . . . . 0.91 111.227 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.89 -53.7 46.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.146 -0.316 . . . . 0.69 110.146 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.88 -15.67 56.91 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.492 0.553 . . . . 0.55 112.492 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -86.8 -34.85 19.43 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.104 0.411 . . . . 1.1 110.653 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -91.18 31.22 1.14 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.645 0.378 . . . . 1.68 111.761 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.425 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.1 OUTLIER -104.67 -36.92 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.211 0.605 . . . . 0.63 109.791 178.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -115.75 -42.4 3.11 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.59 0.756 . . . . 1.64 111.443 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -105.55 42.11 1.28 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.607 0.241 . . . . 1.65 111.609 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.35 -43.11 61.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.687 -0.486 . . . . 2.03 109.687 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -131.95 61.27 1.66 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.94 -0.763 . . . . 1.36 108.94 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.45 70.95 3.07 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.57 0.7 . . . . 1.72 112.093 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -175.07 -45.9 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.134 -0.939 . . . . 1.27 109.368 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -82.23 -50.15 9.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.608 0.763 . . . . 1.61 110.237 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.65 148.19 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.073 0.549 . . . . 1.04 110.63 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -139.06 18.04 2.62 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.876 0.695 . . . . 2.42 112.876 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -160.01 110.23 1.86 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.081 0.4 . . . . 1.86 111.616 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 39.3 tttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.114 -0.946 . . . . 1.85 111.007 179.329 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 113.207 0.817 . . . . 2.71 113.207 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 156.44 18.04 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 117.961 0.346 . . . . 1.02 111.38 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' A' ' 14' ' ' GLU . . . -100.34 93.42 5.66 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 116.165 -0.471 . . . . 0.7 110.605 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.16 135.28 19.67 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 116.33 -0.395 . . . . 1.02 110.921 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.38 136.48 14.17 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.582 2.188 . . . . 0.74 113.066 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -132.21 -61.05 0.88 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.457 0.303 . . . . 1.19 111.126 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.0 167.85 10.18 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.566 -0.531 . . . . 0.98 109.566 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.93 -45.02 91.43 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.272 0.471 . . . . 1.42 112.272 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -72.22 -33.9 67.93 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.229 0.455 . . . . 0.65 112.229 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.85 -37.19 70.3 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.133 -0.321 . . . . 1.03 110.133 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.95 -28.52 65.64 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.235 0.614 . . . . 0.81 111.6 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -60.87 -53.4 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.865 0.466 . . . . 0.63 111.567 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -78.49 -17.43 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 112.057 0.392 . . . . 0.56 112.057 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 6.6 tm-20 -75.27 -34.61 61.36 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.238 0.615 . . . . 1.0 110.436 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.8 m -62.63 -35.13 78.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.242 0.617 . . . . 0.77 111.704 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.57 -28.85 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 122.37 0.268 . . . . 0.5 110.905 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -81.31 -55.4 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 122.853 0.461 . . . . 0.95 110.936 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -63.48 -35.34 80.15 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.931 1.085 . . . . 0.62 113.931 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.8 m -68.97 -41.87 77.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.394 0.516 . . . . 0.66 112.394 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -103.2 6.55 38.35 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.871 1.063 . . . . 0.95 113.871 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.42 -31.37 70.64 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.699 0.682 . . . . 3.17 110.938 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 m -57.94 -37.43 74.11 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.112 0.565 . . . . 1.37 112.351 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -95.14 -24.06 17.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.602 0.594 . . . . 1.55 112.602 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.27 -19.29 31.8 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.747 0.647 . . . . 0.83 112.747 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -79.44 -36.77 38.39 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.326 0.861 . . . . 1.55 113.326 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.36 -19.17 60.54 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.657 0.984 . . . . 1.8 113.657 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -133.91 118.27 17.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.446 0.566 . . . . 1.59 111.827 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.78 81.66 0.26 Allowed Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.53 -0.595 . . . . 0.92 114.426 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 58.12 172.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.599 0.76 . . . . 2.6 112.759 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.82 -47.24 9.23 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.621 -0.263 . . . . 1.22 111.226 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -98.34 46.29 1.0 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.923 0.392 . . . . 1.43 110.888 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -152.78 137.2 16.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.924 0.49 . . . . 1.09 110.628 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.54 160.15 17.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.6 0.36 . . . . 0.76 111.187 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -88.11 157.29 18.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.707 0.403 . . . . 0.68 110.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -73.48 -25.65 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 112.656 0.613 . . . . 0.64 112.656 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.64 -27.06 14.17 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.285 0.476 . . . . 0.82 112.285 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.91 -31.46 40.19 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.788 0.662 . . . . 1.54 112.788 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -66.29 -33.45 75.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.444 0.566 . . . . 0.65 111.195 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -65.81 -36.44 83.51 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.121 0.568 . . . . 0.87 110.733 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.59 -30.96 68.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.809 0.444 . . . . 0.73 110.909 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD11 HD11 ' B' ' 9' ' ' LEU . 21.7 tp -66.89 -32.62 74.0 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.774 0.429 . . . . 0.65 111.175 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.16 -23.71 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 122.898 0.479 . . . . 0.45 111.566 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -100.96 1.24 39.54 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 113.264 0.838 . . . . 0.8 113.264 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.52 -61.2 1.02 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.947 0.794 . . . . 1.1 112.575 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -97.02 -3.41 41.54 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.072 0.767 . . . . 0.84 113.072 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 56.61 3.52 Favored Pre-proline 0 CA--C 1.558 1.263 0 CA-C-N 118.192 0.451 . . . . 0.67 111.84 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -88.18 -32.07 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.252 1.968 . . . . 0.52 115.608 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -79.94 -15.97 56.21 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.63 0.974 . . . . 0.85 113.63 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.69 -56.63 4.36 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.264 0.484 . . . . 0.87 111.289 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.53 113.7 25.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.316 -0.624 . . . . 0.73 109.316 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -33.82 31.38 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 113.172 0.804 . . . . 1.32 113.172 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.25 93.73 8.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.606 0.362 . . . . 2.08 110.419 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.22 -32.33 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 116.46 -0.336 . . . . 0.71 111.631 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.47 -22.44 10.42 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.599 -0.556 . . . . 0.83 113.104 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -96.74 74.32 2.7 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 117.544 0.672 . . . . 0.85 111.475 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.75 13.5 34.26 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.982 0.513 . . . . 1.22 111.392 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.17 -36.64 74.82 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 117.962 0.346 . . . . 0.77 111.611 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.98 -28.15 65.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.441 0.296 . . . . 1.09 111.678 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.93 -45.52 9.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.361 0.264 . . . . 1.55 110.645 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 55.1 ttp -55.79 -33.5 64.44 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.645 0.609 . . . . 0.84 112.645 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -67.48 -42.68 82.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.239 0.215 . . . . 2.56 111.224 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -69.9 -32.72 71.18 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.089 0.243 . . . . 0.61 111.269 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.54 HD22 ' HA ' ' A' ' 76' ' ' TYR . 43.7 mt -72.43 -52.92 13.77 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.155 0.285 . . . . 0.68 110.815 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.17 63.39 8.08 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 120.935 0.398 . . . . 1.39 111.417 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.37 -31.47 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-N 116.288 -0.414 . . . . 0.73 110.269 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.65 -30.29 66.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.278 0.631 . . . . 1.44 110.758 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 64.17 78.68 0.28 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.269 1.028 . . . . 1.96 112.75 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -158.78 17.5 0.19 Allowed 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.698 0.629 . . . . 1.41 112.698 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 m 56.17 26.34 10.17 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.187 0.81 . . . . 1.31 113.187 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -135.96 98.72 3.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.69 0.396 . . . . 2.42 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -81.91 80.38 8.2 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.207 -0.451 . . . . 0.95 111.187 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -68.62 158.82 33.23 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.582 -0.895 . . . . 1.89 108.582 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -23.71 51.42 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 119.137 0.881 . . . . 1.2 113.013 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.89 -32.51 72.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 110.019 -0.363 . . . . 0.98 110.019 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.65 -40.13 9.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.604 0.762 . . . . 1.03 110.835 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.54 ' HA ' HD22 ' A' ' 63' ' ' LEU . 47.4 t80 -69.4 -10.83 59.7 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.028 0.931 . . . . 0.69 112.308 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -19.49 61.76 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.723 0.638 . . . . 1.62 112.723 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' A' ' 63' ' ' LEU . 1.5 mmt180 -70.66 -29.56 65.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.016 0.371 . . . . 1.96 111.623 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.497 ' HB2' HD21 ' A' ' 63' ' ' LEU . 21.1 tp -84.52 -32.99 23.6 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 119.466 -0.302 . . . . 0.53 110.358 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 76' ' ' TYR . 46.6 mm -68.29 -31.97 53.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 109.483 -0.562 . . . . 0.61 109.483 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.74 96.09 Favored Glycine 0 C--N 1.358 1.785 0 N-CA-C 111.36 -0.696 . . . . 0.47 111.36 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -80.28 -26.25 39.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.14 0.576 . . . . 0.86 110.095 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.41 -45.42 91.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.683 0.793 . . . . 0.67 111.428 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.071 0.397 . . . . 0.55 112.071 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -75.22 -31.38 60.85 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 119.611 -0.233 . . . . 0.96 111.531 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -97.24 32.24 2.25 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.062 0.764 . . . . 1.65 113.062 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 3' ' ' ALA . 0.2 OUTLIER -102.73 -40.31 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 108.427 -0.953 . . . . 0.66 108.427 176.698 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -32.88 12.62 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.467 0.707 . . . . 1.74 111.821 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -130.05 61.2 1.58 Allowed 'General case' 0 C--N 1.36 1.047 0 N-CA-C 112.503 0.557 . . . . 1.52 112.503 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -36.24 56.8 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.607 -0.516 . . . . 1.87 109.607 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -139.36 51.27 1.77 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.651 -0.87 . . . . 1.53 108.651 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -50.81 -34.08 26.17 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.149 1.166 . . . . 1.81 114.149 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.011 0.194 . . . . 1.24 111.52 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -97.88 -55.08 2.9 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.031 0.532 . . . . 1.73 111.527 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.46 131.12 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.245 0.618 . . . . 1.06 111.9 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -137.19 31.29 2.66 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.354 0.502 . . . . 2.26 112.354 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -159.71 94.08 1.12 Allowed 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.22 -0.3 . . . . 1.74 111.034 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.9 tttp . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.859 0.362 . . . . 1.71 110.679 -179.512 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 CA--C 1.549 0.927 0 CA-C-O 120.407 0.146 . . . . 1.75 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 143.06 47.31 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 122.809 0.443 . . . . 0.78 111.08 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.49 ' HA ' HD12 ' A' ' 87' ' ' ILE . . . -92.68 112.62 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.404 0.281 . . . . 0.69 111.378 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.93 132.54 26.87 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 122.767 0.427 . . . . 1.1 110.387 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.95 130.28 28.67 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.79 2.327 . . . . 0.83 113.359 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -132.41 -147.38 0.31 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.397 0.679 . . . . 1.24 110.513 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -57.66 161.85 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 119.28 0.946 . . . . 1.06 112.013 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.6 -48.49 7.62 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 113.957 1.095 . . . . 1.51 113.957 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 41' ' ' LEU . 91.2 mt -67.86 -42.69 80.93 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 117.899 0.318 . . . . 0.65 111.283 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.8 -28.37 65.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.457 0.303 . . . . 0.95 111.109 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.6 -27.49 60.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.218 0.607 . . . . 0.85 110.76 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -59.56 -48.86 80.0 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.005 0.522 . . . . 0.56 111.6 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.467 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.9 pp -78.87 -27.48 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 122.411 0.284 . . . . 0.53 111.536 178.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.467 ' N ' HD12 ' B' ' 13' ' ' ILE . 5.8 tm-20 -68.84 -41.34 78.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.349 0.66 . . . . 1.0 110.852 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 15.5 p -61.54 -32.0 72.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.791 0.437 . . . . 0.88 112.021 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.28 -29.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 122.21 0.204 . . . . 0.56 110.624 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.31 -59.49 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-O 119.595 -0.24 . . . . 0.97 110.888 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -57.98 -39.76 78.99 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 113.767 1.025 . . . . 0.67 113.767 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -67.16 -27.04 66.97 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.607 0.595 . . . . 0.69 112.607 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -129.43 32.57 4.63 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.165 0.802 . . . . 1.02 113.165 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.37 -34.36 14.91 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.507 -0.553 . . . . 3.08 109.507 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.4 m -60.2 -39.03 85.12 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.291 0.637 . . . . 1.37 111.439 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -78.57 -37.97 41.34 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.719 0.408 . . . . 1.54 110.523 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.7 -23.47 67.26 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.766 0.654 . . . . 0.85 112.766 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -91.52 17.78 8.21 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.274 0.472 . . . . 1.73 112.274 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -91.82 -43.11 9.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 122.691 0.396 . . . . 1.68 111.232 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -103.82 -171.5 1.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.122 0.569 . . . . 1.45 110.706 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.13 136.79 5.29 Favored Glycine 0 C--N 1.363 2.062 0 N-CA-C 115.274 0.87 . . . . 0.86 115.274 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 64.77 147.97 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.355 1.062 . . . . 2.62 111.896 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -87.95 -33.72 18.34 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.236 0.458 . . . . 1.11 112.236 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -100.35 36.89 1.78 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.996 0.369 . . . . 1.36 111.996 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -144.03 142.59 30.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.242 0.217 . . . . 1.13 111.536 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.5 mp -90.39 165.13 14.02 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.177 -0.465 . . . . 0.79 110.255 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.6 t -105.45 159.88 15.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.72 0.408 . . . . 0.69 110.248 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.16 -33.89 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 111.701 0.26 . . . . 0.71 111.701 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.11 -29.94 43.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.204 0.201 . . . . 0.83 111.535 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.75 -43.21 66.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.632 0.373 . . . . 1.61 111.953 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -36.49 73.09 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.273 0.229 . . . . 0.66 111.367 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -60.7 -40.47 92.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.901 0.48 . . . . 0.81 111.179 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.68 -24.85 38.61 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.524 0.33 . . . . 0.69 111.292 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.39 -46.07 71.02 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.495 0.318 . . . . 0.68 110.766 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.29 -27.24 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 122.386 0.274 . . . . 0.48 111.32 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -100.93 33.13 2.92 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 112.218 0.451 . . . . 0.83 112.218 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -159.8 -60.82 0.07 Allowed 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.772 -0.58 . . . . 0.98 112.427 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -100.77 -11.57 19.78 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 112.724 0.638 . . . . 0.73 112.724 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.8 tp -135.07 47.78 2.52 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 118.083 0.401 . . . . 0.62 111.613 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -83.15 -37.67 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 122.563 2.175 . . . . 0.48 115.361 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -71.41 -34.2 70.13 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.297 0.48 . . . . 0.81 112.297 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.49 -59.38 4.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.282 0.233 . . . . 0.88 110.882 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -88.0 99.6 12.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 116.348 -0.387 . . . . 0.7 110.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -53.42 -34.9 59.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.192 0.597 . . . . 1.23 112.356 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.11 82.03 5.05 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.156 0.582 . . . . 1.94 110.412 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 m -86.13 -23.18 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.693 0.627 . . . . 0.6 112.693 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.67 -44.19 4.95 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.917 -0.379 . . . . 0.67 113.676 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 70.34 6.86 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 117.097 0.449 . . . . 0.92 111.672 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.81 -16.9 60.69 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 119.538 -0.267 . . . . 1.24 110.93 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -50.67 -33.16 21.49 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.777 0.658 . . . . 0.73 112.777 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.36 -42.04 94.96 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 117.631 0.196 . . . . 1.1 110.732 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 38.83 2.44 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.012 0.525 . . . . 1.47 110.487 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttt -113.08 -52.91 2.75 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.26 0.624 . . . . 0.81 109.846 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -70.38 -26.93 63.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.706 0.403 . . . . 2.39 110.711 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -71.59 -34.8 70.21 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 123.123 0.569 . . . . 0.63 110.952 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' B' ' 78' ' ' ARG . 65.7 mt -75.56 -66.15 0.81 Allowed 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.978 -0.378 . . . . 0.69 109.978 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -81.59 82.86 7.21 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 109.346 -0.613 . . . . 1.32 109.346 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.3 -29.96 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 115.493 -0.776 . . . . 0.72 112.175 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -73.6 -13.26 60.98 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.304 0.483 . . . . 1.38 112.304 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 66.29 75.63 0.33 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.701 0.801 . . . . 2.02 112.226 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.56 10.23 0.64 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 112.423 0.527 . . . . 1.3 112.423 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 57.08 31.46 20.0 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 113.003 0.742 . . . . 1.35 113.003 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -134.53 137.62 43.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.656 0.383 . . . . 2.4 110.962 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.06 66.66 0.76 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.192 -0.458 . . . . 1.13 110.221 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -61.71 161.01 10.66 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.67 -0.863 . . . . 1.81 108.67 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -22.89 64.81 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.294 0.952 . . . . 1.23 113.38 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -75.85 -33.19 60.01 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.345 0.521 . . . . 0.99 109.634 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.5 -39.03 16.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.142 0.577 . . . . 0.93 110.235 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.494 ' HA ' HD22 ' B' ' 63' ' ' LEU . 47.1 t80 -68.05 -18.53 64.71 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.076 . . . . 0.71 110.439 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -41.96 -37.74 1.41 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.792 1.637 . . . . 1.54 113.579 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.536 ' HB2' HD23 ' B' ' 63' ' ' LEU . 22.2 mmm-85 -67.38 -30.95 70.87 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.508 0.558 . . . . 2.15 112.508 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' HD21 ' B' ' 63' ' ' LEU . 11.0 tp -77.07 -29.77 55.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.166 0.439 . . . . 0.49 110.538 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -62.01 -40.73 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.15 0.58 . . . . 0.56 110.23 178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.49 -32.55 71.53 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 111.821 -0.512 . . . . 0.42 111.821 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.6 -7.42 59.51 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.943 0.497 . . . . 0.91 111.694 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -51.85 8.85 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 122.952 0.501 . . . . 0.69 110.854 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.43 40.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.759 0.651 . . . . 0.55 112.759 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -67.83 -40.21 83.78 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 117.982 0.356 . . . . 1.1 110.77 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -75.32 -20.89 58.82 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.518 0.562 . . . . 1.68 112.518 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.95 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.523 0.601 . . . . 0.63 111.468 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 4.11 15.21 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.183 0.808 . . . . 1.64 113.183 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -168.33 67.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.787 0.721 . . . . 1.65 112.429 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -84.57 -38.08 20.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.48 -0.327 . . . . 2.03 110.286 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -136.07 80.39 1.82 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.45 -0.944 . . . . 1.36 108.45 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -85.42 59.29 5.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.24 0.543 . . . . 1.72 112.073 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 tp -171.89 -49.62 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.701 -0.681 . . . . 1.27 110.065 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -76.98 -45.76 26.3 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.515 0.326 . . . . 1.61 110.506 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pp -133.63 108.1 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 122.905 0.482 . . . . 1.04 110.319 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -113.66 37.23 3.31 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.004 0.372 . . . . 2.42 112.004 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.37 90.13 0.27 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.399 0.518 . . . . 1.86 112.399 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 1.85 110.098 178.237 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.291 0.567 . . . . 2.71 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.46 131.32 17.07 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.628 -0.715 . . . . 1.02 110.813 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.7 113.16 24.7 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.153 0.283 . . . . 0.7 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -117.24 135.7 23.21 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.613 0.365 . . . . 1.02 110.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.39 131.63 15.3 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.73 2.287 . . . . 0.74 113.7 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -123.93 -61.82 1.34 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.191 0.596 . . . . 1.19 110.147 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -115.98 159.41 21.66 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.922 -0.769 . . . . 0.98 108.922 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.83 -38.25 72.37 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.258 0.466 . . . . 1.42 112.258 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.0 mt -71.55 -37.24 71.12 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.644 0.202 . . . . 0.65 111.118 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.71 -29.9 63.75 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.825 -0.435 . . . . 1.03 109.825 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.16 -32.62 73.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 123.802 0.841 . . . . 0.81 111.474 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -57.2 -55.46 34.47 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.167 0.432 . . . . 0.63 112.167 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.559 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.8 pp -75.51 -26.02 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 111.801 0.297 . . . . 0.56 111.801 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.9 tm-20 -66.38 -42.08 88.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.992 0.517 . . . . 1.0 111.258 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.5 m -63.09 -27.1 69.16 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.615 0.598 . . . . 0.77 112.615 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 t -69.12 -32.71 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 122.357 0.263 . . . . 0.5 111.11 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.1 t -84.95 -47.89 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.626 0.37 . . . . 0.95 111.098 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -62.43 -41.63 98.85 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.735 1.013 . . . . 0.62 113.735 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.11 -43.05 79.31 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.382 0.512 . . . . 0.66 112.382 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 41' ' ' LEU . 6.4 t80 -107.91 46.47 0.95 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.772 0.32 . . . . 0.95 111.529 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -92.6 -48.37 6.64 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.581 -0.281 . . . . 3.17 110.95 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -33.16 64.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.992 0.367 . . . . 1.37 111.992 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -79.27 -36.91 39.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 122.554 0.342 . . . . 1.55 110.985 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.44 69.61 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.251 0.834 . . . . 0.83 113.251 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -83.75 1.45 42.75 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.86 0.689 . . . . 1.55 112.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -73.99 -43.5 57.86 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.151 0.432 . . . . 1.8 111.929 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -137.96 123.52 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.835 0.309 . . . . 1.59 111.835 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.37 106.22 0.04 OUTLIER Glycine 0 C--N 1.351 1.413 0 CA-C-O 119.737 -0.479 . . . . 0.92 114.045 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 50.34 -175.77 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.643 0.979 . . . . 2.6 113.643 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -99.89 -42.48 6.78 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.991 0.516 . . . . 1.22 112.021 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.71 47.18 0.89 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.023 0.439 . . . . 1.43 111.553 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 p -147.96 123.4 10.35 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 116.047 -0.524 . . . . 1.09 110.08 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.88 170.13 17.05 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.501 -0.318 . . . . 0.76 110.769 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -105.12 158.38 16.61 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.844 -0.428 . . . . 0.68 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -30.02 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.578 0.585 . . . . 0.64 112.578 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -91.69 -33.72 14.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.534 0.334 . . . . 0.82 111.806 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.77 -35.13 69.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.671 0.619 . . . . 1.54 112.671 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -37.88 70.16 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.223 0.465 . . . . 0.65 110.183 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -58.96 -33.87 71.14 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.488 0.715 . . . . 0.87 111.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.91 -37.17 70.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.583 0.353 . . . . 0.73 111.499 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 20' ' ' PHE . 15.8 tp -65.11 -32.28 73.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.973 0.509 . . . . 0.65 112.079 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.5 -34.04 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 122.558 0.343 . . . . 0.45 110.781 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 34.13 3.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.665 0.386 . . . . 0.8 111.633 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -147.49 -56.44 0.24 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.162 0.43 . . . . 1.1 112.162 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -120.51 -2.57 9.96 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.302 0.853 . . . . 0.84 113.302 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -138.07 42.24 0.59 Allowed Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 118.351 0.523 . . . . 0.67 112.213 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 86.4 Cg_endo -80.11 -38.91 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.078 1.852 . . . . 0.52 114.092 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -67.06 -33.41 75.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.016 0.376 . . . . 0.85 112.016 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.39 -53.44 29.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.369 0.268 . . . . 0.87 110.555 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.5 mt -101.31 93.99 5.7 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.936 -0.764 . . . . 0.73 108.936 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.3 -36.91 69.2 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.577 0.954 . . . . 1.32 113.577 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -87.86 73.51 9.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.985 0.422 . . . . 2.08 110.517 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -77.63 -32.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.861 -0.609 . . . . 0.71 112.084 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.78 19.72 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-O 119.988 -0.34 . . . . 0.83 113.856 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -97.24 74.67 2.53 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.167 0.508 . . . . 0.85 110.944 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -8.15 52.97 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.764 -0.653 . . . . 1.22 111.005 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.35 -33.84 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.099 0.777 . . . . 0.77 113.099 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.56 -46.63 88.35 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 117.83 0.286 . . . . 1.09 111.013 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.58 -18.5 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.103 0.409 . . . . 1.55 112.103 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.9 ttp -69.18 -41.3 77.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.544 0.338 . . . . 0.84 111.278 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -59.14 -33.62 71.1 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 122.953 0.158 . . . . 2.56 111.124 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 m -70.05 -37.94 75.68 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 110.289 -0.263 . . . . 0.61 110.289 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 79' ' ' LEU . 52.5 mt -66.89 -49.23 66.26 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 110.272 -0.27 . . . . 0.68 110.272 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.43 63.68 2.15 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.368 -0.605 . . . . 1.39 109.368 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.84 -22.25 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.019 0 CA-C-N 116.062 -0.517 . . . . 0.73 112.367 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -85.61 -15.1 43.62 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.97 0.359 . . . . 1.44 111.97 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 60.89 73.75 0.47 Allowed 'General case' 0 C--N 1.361 1.078 0 C-N-CA 123.822 0.849 . . . . 1.96 111.831 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -149.12 15.96 0.93 Allowed 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 115.86 -0.609 . . . . 1.41 112.39 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 m 55.69 25.74 8.56 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 113.12 0.785 . . . . 1.31 113.12 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -123.35 152.45 41.48 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.711 0.404 . . . . 2.42 110.723 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -128.87 55.17 1.74 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.901 -0.59 . . . . 0.95 110.889 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -58.8 159.01 7.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.312 0.645 . . . . 1.89 110.717 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -28.05 66.53 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.524 0.602 . . . . 1.2 112.415 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -24.79 62.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.512 0.325 . . . . 0.98 110.537 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.63 -32.32 10.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.708 0.803 . . . . 1.03 110.778 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.592 ' HA ' HD22 ' A' ' 63' ' ' LEU . 19.5 t80 -76.92 -15.2 59.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.789 0.836 . . . . 0.69 111.31 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -22.89 42.26 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.606 0.762 . . . . 1.62 112.033 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB2' HD23 ' A' ' 63' ' ' LEU . 17.0 mmm180 -64.02 -33.81 76.58 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.433 0.293 . . . . 1.96 110.95 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.741 ' HB2' HD21 ' A' ' 63' ' ' LEU . 8.6 tp -86.82 -36.07 18.72 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 119.504 -0.284 . . . . 0.53 110.74 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.2 -38.76 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 122.445 0.298 . . . . 0.61 110.257 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.28 -41.07 94.86 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 111.125 -0.79 . . . . 0.47 111.125 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.6 -26.07 64.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.652 0.381 . . . . 0.86 110.795 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.83 -48.43 76.83 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.591 -0.522 . . . . 0.67 109.591 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -83.0 -12.53 57.19 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.124 0.569 . . . . 0.55 112.522 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.632 0.373 . . . . 0.96 110.829 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -74.73 -11.24 60.12 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.411 0.523 . . . . 1.65 112.411 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.613 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -63.58 -31.3 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 122.507 0.323 . . . . 0.66 111.427 179.161 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -39.83 3.15 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.316 0.858 . . . . 1.74 113.316 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -111.77 40.24 2.18 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.237 1.199 . . . . 1.52 114.237 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -68.1 -39.35 82.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.718 -0.475 . . . . 1.87 109.718 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -140.34 57.87 1.58 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.356 -0.979 . . . . 1.53 108.356 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.8 -25.24 68.14 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 113.263 0.838 . . . . 1.81 113.263 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -80.12 -36.23 35.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 111.801 0.297 . . . . 1.24 111.801 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -80.49 -45.99 16.6 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.838 0.455 . . . . 1.73 111.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 pt -125.24 154.37 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.22 0.608 . . . . 1.06 110.957 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -146.57 26.12 1.17 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 112.846 0.684 . . . . 2.26 112.846 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -169.73 93.04 0.24 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.488 0.315 . . . . 1.74 111.481 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.992 0.425 . . . . 1.71 110.407 179.164 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 121.306 0.574 . . . . 1.75 110.343 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 155.46 39.25 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.597 -0.729 . . . . 0.78 111.592 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.32 103.83 13.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.765 0.426 . . . . 0.69 111.336 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' B' ' 5' ' ' PRO . 42.6 tt0 -112.63 137.16 21.61 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 122.688 0.395 . . . . 1.1 111.338 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 4' ' ' GLU . 15.0 Cg_exo -68.14 129.93 20.39 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.658 2.238 . . . . 0.83 112.85 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.77 -107.39 0.33 Allowed 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 118.966 -0.54 . . . . 1.24 110.345 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.6 p -93.32 -177.41 4.43 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 118.95 0.795 . . . . 1.06 110.357 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.24 -50.89 68.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.621 0.6 . . . . 1.51 112.621 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 41' ' ' LEU . 77.7 mt -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 111.742 0.275 . . . . 0.65 111.742 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.45 -34.12 72.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.575 0.35 . . . . 0.95 111.287 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -70.57 -26.7 63.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 122.317 0.247 . . . . 0.85 111.038 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -54.47 -59.83 4.16 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.695 0.398 . . . . 0.56 111.911 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -71.92 -30.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 123.021 0.201 . . . . 0.53 111.399 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.544 ' N ' HD12 ' B' ' 13' ' ' ILE . 8.1 tm-20 -65.98 -34.11 77.35 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.161 0.584 . . . . 1.0 111.346 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 40.7 m -68.78 -29.47 67.85 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.372 0.269 . . . . 0.88 111.308 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.79 -33.75 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 110.072 -0.344 . . . . 0.56 110.072 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' PHE . 41.0 t -74.64 -56.74 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 122.709 0.404 . . . . 0.97 110.196 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -52.66 -33.73 48.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.213 1.19 . . . . 0.67 114.213 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -77.53 -37.66 50.42 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.232 0.827 . . . . 0.69 113.232 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' B' ' 41' ' ' LEU . 9.1 t80 -122.94 27.05 7.86 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.998 1.11 . . . . 1.02 113.998 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 37.2 t80 -86.25 -31.45 21.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.644 -0.502 . . . . 3.08 109.644 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.0 m -58.64 -41.11 85.25 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 122.648 0.379 . . . . 1.37 110.3 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.9 -32.5 57.47 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.283 0.364 . . . . 1.54 110.25 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.37 73.8 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 122.925 0.49 . . . . 0.85 112.198 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -94.63 27.97 2.83 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.271 0.228 . . . . 1.73 111.541 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -91.12 -43.04 10.13 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.067 0.547 . . . . 1.68 110.085 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -101.07 -166.19 1.28 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.088 -0.708 . . . . 1.45 109.088 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.64 150.45 26.77 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 118.257 0.48 . . . . 0.86 113.265 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 64.77 134.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 2.62 111.647 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -78.11 -47.32 18.48 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.239 0.459 . . . . 1.11 112.239 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.8 60.71 2.97 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.831 0.348 . . . . 1.36 110.53 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -158.68 139.09 12.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.672 0.619 . . . . 1.13 112.672 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.0 125.1 41.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.365 -0.976 . . . . 0.79 108.365 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -68.01 166.42 15.89 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 111.953 0.353 . . . . 0.69 111.953 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -55.95 -37.25 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 112.77 0.656 . . . . 0.71 112.77 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -106.15 50.4 0.78 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.035 0.445 . . . . 0.83 110.537 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.42 -49.51 0.54 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.905 0.482 . . . . 1.61 110.814 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -68.16 -33.45 74.49 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.193 -0.299 . . . . 0.66 110.193 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -66.24 -38.8 88.74 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 122.541 0.337 . . . . 0.81 110.32 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.6 -35.28 75.17 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 110.035 -0.357 . . . . 0.69 110.035 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' B' ' 20' ' ' PHE . 29.8 tp -65.08 -42.46 94.07 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.744 0.418 . . . . 0.68 110.554 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.424 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 79.9 t -73.06 -25.18 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 O-C-N 123.331 0.394 . . . . 0.48 111.646 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -112.15 40.45 2.19 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 112.288 0.477 . . . . 0.83 112.288 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -160.32 -65.53 0.07 Allowed 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.948 -0.47 . . . . 0.98 111.35 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -106.59 -5.11 18.93 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.063 0.394 . . . . 0.73 112.063 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 10.9 tp -135.39 42.64 0.78 Allowed Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 112.031 0.382 . . . . 0.62 112.031 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.42 -34.23 0.82 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 C-N-CA 122.589 2.193 . . . . 0.48 114.452 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.43 -13.88 60.42 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.868 0.692 . . . . 0.81 112.868 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.0 -59.09 2.92 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.904 0.32 . . . . 0.88 110.788 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.41 112.15 23.99 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.597 -0.89 . . . . 0.7 108.597 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -54.82 -35.88 64.39 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.986 0.735 . . . . 1.23 112.986 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.26 86.79 6.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.589 0.356 . . . . 1.94 110.158 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.95 -22.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.63 0.604 . . . . 0.6 112.63 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.0 -66.65 1.44 Allowed Glycine 0 C--N 1.351 1.406 0 CA-C-O 119.808 -0.44 . . . . 0.67 113.073 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -78.27 88.13 4.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.166 0.483 . . . . 0.92 111.212 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -98.24 -1.17 42.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.223 0.609 . . . . 1.24 111.899 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.34 -26.48 65.63 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.635 0.605 . . . . 0.73 112.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.96 -33.45 74.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.732 0.413 . . . . 1.1 110.613 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.26 -30.68 12.84 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.245 0.618 . . . . 1.47 110.826 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.5 ttp -52.6 -46.32 66.92 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.563 0.579 . . . . 0.81 112.563 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -66.31 -36.26 82.49 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 117.636 0.198 . . . . 2.39 111.163 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -69.43 -34.89 75.1 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.728 0.411 . . . . 0.63 110.683 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' B' ' 78' ' ' ARG . 19.6 mt -71.58 -63.8 1.05 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 122.952 0.501 . . . . 0.69 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.74 82.23 6.79 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.969 0.414 . . . . 1.32 110.393 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.28 -31.2 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 115.841 -0.618 . . . . 0.72 112.441 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.34 -14.38 59.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.79 0.663 . . . . 1.38 112.79 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 61.58 59.75 1.78 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.664 0.785 . . . . 2.02 111.876 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -121.73 8.86 10.04 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.929 -0.578 . . . . 1.3 111.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t 70.56 -63.86 0.39 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.899 0.88 . . . . 1.35 111.693 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -70.67 120.21 15.95 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.578 0.351 . . . . 2.4 110.197 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tp -80.02 108.13 13.35 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.908 0.483 . . . . 1.13 111.828 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -78.39 167.84 20.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.804 -0.813 . . . . 1.81 108.804 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -29.5 70.16 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.793 0.724 . . . . 1.23 111.777 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.17 -30.92 69.23 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.717 -0.475 . . . . 0.99 109.717 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.15 -36.2 27.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.979 -0.378 . . . . 0.93 109.979 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -72.81 -16.35 61.62 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.454 0.701 . . . . 0.71 111.213 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -52.86 -31.03 37.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.939 1.296 . . . . 1.54 112.82 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.637 ' HB2' HD23 ' B' ' 63' ' ' LEU . 10.2 mmm-85 -68.1 -31.25 70.73 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.019 0.378 . . . . 2.15 112.019 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' B' ' 63' ' ' LEU . 8.8 tp -80.87 -36.74 30.94 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.645 -0.502 . . . . 0.49 109.645 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.31 -36.82 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.018 0.527 . . . . 0.56 110.386 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.55 57.05 Favored Glycine 0 C--N 1.355 1.627 0 N-CA-C 111.749 -0.54 . . . . 0.42 111.749 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.68 -26.37 60.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.901 0.481 . . . . 0.91 111.565 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mp -57.34 -50.68 72.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.188 0.595 . . . . 0.69 111.291 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -82.62 -18.7 40.24 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.268 0.47 . . . . 0.55 112.268 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -78.87 -31.49 45.58 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.903 0.481 . . . . 1.1 111.726 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.81 -5.15 39.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.025 0.75 . . . . 1.68 113.025 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.43 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -80.1 -45.46 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 118.571 0.623 . . . . 0.63 110.363 178.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.06 -42.01 33.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.46 0.304 . . . . 1.64 111.711 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -145.18 84.89 1.72 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.486 0.55 . . . . 1.65 112.486 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -38.81 65.0 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.982 -0.377 . . . . 2.03 109.982 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -121.99 78.79 1.51 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.248 -1.019 . . . . 1.36 108.248 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -75.92 68.15 2.39 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.431 0.634 . . . . 1.72 112.029 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -175.28 -46.53 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.326 -0.852 . . . . 1.27 110.467 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.94 -54.91 4.21 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.412 0.685 . . . . 1.61 111.5 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.27 137.57 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.69 0.396 . . . . 1.04 111.351 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -159.89 62.65 0.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 112.343 0.498 . . . . 2.42 112.343 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -171.01 47.73 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.975 0.51 . . . . 1.86 111.7 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.9 tttp . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.163 -0.922 . . . . 1.85 110.884 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 113.074 0.768 . . . . 2.71 113.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.62 152.39 30.42 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.976 0.353 . . . . 1.02 111.098 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.83 22.28 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.512 0.325 . . . . 0.7 111.266 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -99.95 139.59 20.89 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 122.96 0.504 . . . . 1.02 110.569 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.27 137.3 79.85 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 122.809 2.339 . . . . 0.74 114.063 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -137.68 -149.14 0.29 Allowed 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 123.387 0.675 . . . . 1.19 110.82 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -59.33 162.58 4.57 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 119.069 0.85 . . . . 0.98 111.546 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -44.24 -52.01 7.81 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.535 0.939 . . . . 1.42 113.535 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.48 -36.45 71.15 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 117.907 0.321 . . . . 0.65 111.823 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.24 -31.75 66.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.401 0.28 . . . . 1.03 111.234 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -78.8 -22.1 46.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.205 0.602 . . . . 0.81 111.752 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -61.4 -54.03 48.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.093 0.406 . . . . 0.63 110.347 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.7 pp -70.18 -21.69 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 111.713 0.264 . . . . 0.56 111.713 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -75.03 -39.12 61.24 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.047 0.539 . . . . 1.0 111.302 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -63.87 -33.61 76.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.635 0.374 . . . . 0.77 111.384 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.56 -33.68 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 122.637 0.375 . . . . 0.5 110.142 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.6 t -74.49 -59.42 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.011 0.524 . . . . 0.95 110.565 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.6 p -51.18 -40.14 57.97 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.574 1.324 . . . . 0.62 114.574 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -72.14 -56.87 4.83 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.189 0.811 . . . . 0.66 113.189 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.08 -20.8 47.9 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.919 1.081 . . . . 0.95 113.919 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.03 -21.62 62.25 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 119.016 0.825 . . . . 3.17 112.417 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -68.37 -33.51 74.4 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.184 0.447 . . . . 1.37 110.574 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.63 -35.34 11.09 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.294 0.637 . . . . 1.55 111.356 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.61 53.81 1.92 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.867 0.467 . . . . 0.83 112.143 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -134.18 17.03 3.76 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.73 0.412 . . . . 1.55 111.677 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -112.47 -45.81 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.582 0.353 . . . . 1.8 111.412 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -90.82 97.78 11.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.592 0.357 . . . . 1.59 111.8 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.26 81.62 0.66 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 114.337 0.495 . . . . 0.92 114.337 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 58.31 173.8 0.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.929 0.892 . . . . 2.6 113.229 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -92.52 -43.49 9.13 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.072 0.549 . . . . 1.22 111.106 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.14 -30.91 70.15 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.37 0.419 . . . . 1.43 111.883 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -90.93 150.26 21.57 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 120.742 0.306 . . . . 1.09 111.476 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.1 168.84 10.21 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.882 -0.599 . . . . 0.76 110.575 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -95.44 166.67 11.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.643 0.377 . . . . 0.68 111.749 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.5 -37.24 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 116.287 -0.415 . . . . 0.64 111.244 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.41 -43.68 31.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.723 0.268 . . . . 0.82 111.723 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.32 -28.87 70.3 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.417 0.287 . . . . 1.54 111.626 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -66.95 -37.42 84.25 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 122.508 0.323 . . . . 0.65 110.288 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.33 -36.0 81.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.867 0.467 . . . . 0.87 111.156 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.18 -30.34 38.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.466 0.306 . . . . 0.73 111.494 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.72 -46.15 86.7 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.59 0.356 . . . . 0.65 110.823 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.42 -26.96 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 122.652 0.381 . . . . 0.45 111.656 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -102.79 32.6 3.58 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 112.223 0.453 . . . . 0.8 112.223 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -160.61 -63.71 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.738 -0.601 . . . . 1.1 112.36 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -100.07 -3.51 31.8 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.115 0.783 . . . . 0.84 113.115 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.4 tt -142.07 57.35 6.59 Favored Pre-proline 0 CA--C 1.561 1.399 0 CA-C-N 118.014 0.37 . . . . 0.67 110.171 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 18.2 Cg_endo -92.23 -63.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.845 2.364 . . . . 0.52 115.184 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -49.71 -33.16 15.17 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.962 1.097 . . . . 0.85 113.962 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 87' ' ' ILE . 11.1 tp -68.39 -54.23 18.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.299 0.24 . . . . 0.87 110.912 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.95 103.73 15.6 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.585 -0.894 . . . . 0.73 108.585 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -50.13 -37.19 33.15 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.335 1.235 . . . . 1.32 114.335 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -95.88 96.96 9.28 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 122.394 0.277 . . . . 2.08 111.64 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.73 -1.13 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 111.753 0.279 . . . . 0.71 111.753 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.89 -33.41 1.39 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 119.597 -0.557 . . . . 0.83 112.418 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.5 t -87.06 74.27 9.7 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 117.316 0.558 . . . . 0.85 110.782 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.78 49.16 0.81 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.774 0.43 . . . . 1.22 110.288 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.33 -43.11 4.19 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.383 -0.371 . . . . 0.77 111.232 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -72.34 -28.18 62.88 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.39 0.515 . . . . 1.09 112.39 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -89.79 -39.75 12.91 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.993 0.368 . . . . 1.55 111.993 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.1 ttp -60.26 -39.11 85.62 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.399 0.518 . . . . 0.84 112.399 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -68.38 -40.25 81.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.014 0.126 . . . . 2.56 111.17 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -69.65 -28.8 66.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.654 0.382 . . . . 0.61 111.619 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 76' ' ' TYR . 43.1 mt -72.37 -64.68 0.9 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.425 0.29 . . . . 0.68 110.393 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -83.8 73.89 10.25 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.808 0.337 . . . . 1.39 110.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.39 -26.17 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 116.179 -0.464 . . . . 0.73 112.053 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -71.31 -23.38 61.93 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.51 0.324 . . . . 1.44 111.825 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 63.53 71.6 0.49 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 123.719 0.807 . . . . 1.96 111.369 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -144.08 12.15 1.59 Allowed 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.844 -0.616 . . . . 1.41 111.935 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 t 58.04 29.79 18.28 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 123.497 0.719 . . . . 1.31 112.459 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.23 114.41 8.24 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.024 0.53 . . . . 2.42 109.98 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.16 85.46 5.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.678 0.275 . . . . 0.95 111.074 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -68.27 162.39 25.18 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 108.15 -1.056 . . . . 1.89 108.15 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -22.74 65.68 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.558 1.072 . . . . 1.2 112.191 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.84 -32.52 65.54 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 109.674 -0.491 . . . . 0.98 109.674 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -87.25 -42.01 13.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.592 0.757 . . . . 1.03 110.224 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.562 ' HA ' HD22 ' A' ' 63' ' ' LEU . 24.7 t80 -62.44 -20.73 64.81 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.968 0.907 . . . . 0.69 110.967 177.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -39.79 -37.93 0.6 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.92 1.688 . . . . 1.62 113.64 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.469 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.1 mmm180 -61.36 -23.85 66.06 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.402 0.89 . . . . 1.96 113.402 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' HB2' HD21 ' A' ' 63' ' ' LEU . 5.9 tp -90.41 -34.87 15.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.29 0.496 . . . . 0.53 111.291 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.62 -37.12 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 110.002 -0.37 . . . . 0.61 110.002 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.74 -34.44 77.95 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 111.713 -0.555 . . . . 0.47 111.713 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.31 -21.32 46.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.733 0.413 . . . . 0.86 111.086 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -52.02 66.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.197 0.599 . . . . 0.67 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -77.04 -22.7 52.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.069 0.396 . . . . 0.55 112.069 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.82 -44.68 55.02 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.946 -0.39 . . . . 0.96 109.946 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.64 -17.52 61.66 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 112.395 0.517 . . . . 1.65 112.395 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.73 -32.65 58.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-N 118.184 0.447 . . . . 0.66 111.525 178.786 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -113.07 -37.84 4.66 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.827 0.677 . . . . 1.74 112.827 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -122.69 72.74 1.09 Allowed 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.735 0.302 . . . . 1.52 111.788 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -91.17 -42.6 10.35 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.859 -0.423 . . . . 1.87 109.859 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -127.62 61.31 1.41 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.535 0.734 . . . . 1.53 109.239 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.37 73.49 3.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.093 0.473 . . . . 1.81 111.387 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 tp -166.67 -54.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.912 -0.585 . . . . 1.24 110.888 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -95.86 -37.06 10.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.975 0.51 . . . . 1.73 111.427 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.95 143.14 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.549 0.339 . . . . 1.06 111.67 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -152.22 51.48 0.78 Allowed 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.009 0.433 . . . . 2.26 111.43 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -159.31 84.48 0.78 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.222 -0.444 . . . . 1.74 111.234 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 tttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 116.411 -0.359 . . . . 1.71 110.096 179.515 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 112.002 0.371 . . . . 1.75 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.76 149.48 22.28 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 122.801 0.441 . . . . 0.78 111.138 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.47 122.37 33.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.639 -0.255 . . . . 0.69 111.025 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -116.76 132.98 23.11 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 119.318 -0.373 . . . . 1.1 110.436 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.68 141.51 95.26 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.02 2.48 . . . . 0.83 113.496 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 mt -133.7 -97.81 0.27 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 119.243 -0.408 . . . . 1.24 111.277 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 m -95.79 162.68 13.49 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.445 0.566 . . . . 1.06 109.652 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.98 -42.19 62.75 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.925 0.713 . . . . 1.51 112.925 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.08 -40.27 46.71 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.694 0.225 . . . . 0.65 111.267 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.45 -26.26 62.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.311 0.244 . . . . 0.95 111.145 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.67 -24.6 49.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.233 0.613 . . . . 0.85 111.827 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -56.5 -57.16 13.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.555 0.342 . . . . 0.56 110.844 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.7 pp -71.94 -21.34 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.03 0.207 . . . . 0.53 111.447 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.474 ' N ' HD12 ' B' ' 13' ' ' ILE . 3.4 tm-20 -68.36 -41.63 80.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.225 0.61 . . . . 1.0 110.553 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -66.49 -33.3 75.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.28 0.363 . . . . 0.88 110.993 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.08 -32.94 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 122.85 0.46 . . . . 0.56 110.554 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.73 -60.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 122.84 0.456 . . . . 0.97 110.728 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -55.5 -34.41 64.59 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.859 1.059 . . . . 0.67 113.859 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -66.71 -46.41 75.62 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.018 0.377 . . . . 0.69 112.018 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.31 30.48 6.89 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.167 0.803 . . . . 1.02 113.167 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -82.28 -35.05 28.42 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.936 -0.477 . . . . 3.08 110.289 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -67.17 -34.24 77.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.419 0.688 . . . . 1.37 111.449 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -83.74 -33.32 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.602 0.361 . . . . 1.54 111.106 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.3 65.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.47 0.544 . . . . 0.85 112.47 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -78.35 -13.42 59.85 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.114 0.783 . . . . 1.73 113.114 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.89 -35.92 82.7 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 117.846 0.294 . . . . 1.68 111.789 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -106.5 -177.75 3.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.846 0.459 . . . . 1.45 110.881 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.44 125.75 0.94 Allowed Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.738 1.055 . . . . 0.86 115.738 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 64.87 140.41 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.25 1.02 . . . . 2.62 112.511 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -73.2 -42.83 62.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 116.078 -0.51 . . . . 1.11 111.531 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.18 50.85 1.42 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.045 0.45 . . . . 1.36 110.471 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.4 t -159.12 131.04 6.47 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 116.319 -0.401 . . . . 1.13 111.488 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.36 168.46 15.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.0 0.52 . . . . 0.79 110.875 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -102.04 166.24 10.73 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.558 0.343 . . . . 0.69 111.042 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.3 -24.21 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 112.445 0.535 . . . . 0.71 112.445 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -98.51 -32.8 11.28 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.686 0.395 . . . . 0.83 111.926 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.4 -31.55 60.47 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.992 0.738 . . . . 1.61 112.992 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -70.26 -35.51 73.83 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.251 0.478 . . . . 0.66 110.405 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -64.29 -37.16 86.52 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.234 0.614 . . . . 0.81 111.242 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.11 -31.91 72.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.775 0.43 . . . . 0.69 111.008 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -71.32 -32.65 68.84 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.81 0.444 . . . . 0.68 111.85 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.46 HG13 HD12 ' B' ' 50' ' ' LEU . 51.5 t -77.73 -28.16 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 119.465 -0.303 . . . . 0.48 111.474 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -99.03 2.81 46.57 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 113.023 0.749 . . . . 0.83 113.023 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -129.42 -59.04 1.1 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 112.685 0.624 . . . . 0.98 112.685 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.36 -8.65 21.87 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.847 1.054 . . . . 0.73 113.847 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.412 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 0.8 OUTLIER -139.14 43.54 0.67 Allowed Pre-proline 0 CA--C 1.566 1.589 0 CA-C-N 118.374 0.534 . . . . 0.62 112.204 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 74.5 Cg_endo -84.46 -32.35 0.38 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.368 2.045 . . . . 0.48 114.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -68.04 -33.28 74.29 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 111.991 0.367 . . . . 0.81 111.991 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.429 HD13 HG12 ' B' ' 87' ' ' ILE . 28.1 tp -69.83 -62.31 1.43 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.284 0.234 . . . . 0.88 111.385 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.46 HD12 HG13 ' B' ' 42' ' ' VAL . 67.3 mt -85.6 110.08 19.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 110.113 -0.329 . . . . 0.7 110.113 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.28 -36.52 53.1 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.227 0.825 . . . . 1.23 113.227 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.77 101.65 13.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.479 0.312 . . . . 1.94 110.771 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.96 -27.58 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 112.272 0.471 . . . . 0.6 112.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.75 -57.37 1.95 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-O 120.024 -0.32 . . . . 0.67 113.081 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -83.97 91.22 7.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.568 0.347 . . . . 0.92 111.188 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.02 8.14 36.59 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.281 -0.418 . . . . 1.24 111.435 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.08 -27.55 68.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.404 . . . . 0.73 111.691 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.3 -33.53 75.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.676 0.39 . . . . 1.1 110.764 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -98.29 -38.89 9.09 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 122.968 0.507 . . . . 1.47 111.762 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -57.78 -42.22 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 112.969 0.729 . . . . 0.81 112.969 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -62.44 -36.67 83.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.122 0.169 . . . . 2.39 111.4 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -81.58 -32.89 31.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.307 0.379 . . . . 0.63 111.006 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 79' ' ' LEU . 22.8 mt -61.91 -55.75 26.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.116 0.566 . . . . 0.69 111.485 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.85 71.83 9.45 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.262 -0.644 . . . . 1.32 109.262 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.98 -16.52 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 CA-C-N 115.603 -0.726 . . . . 0.72 112.706 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -92.85 -7.78 45.33 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 112.571 0.582 . . . . 1.38 112.571 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.65 38.1 27.59 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.318 0.647 . . . . 2.02 111.558 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.92 -2.88 13.47 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.5 t 64.85 23.29 12.63 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.356 0.662 . . . . 1.35 112.004 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -126.18 116.02 20.67 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.118 0.567 . . . . 2.4 109.508 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.76 70.03 3.44 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.998 0.428 . . . . 1.13 111.921 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -65.29 161.22 19.96 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 107.942 -1.132 . . . . 1.81 107.942 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 0.6 OUTLIER -55.05 -24.05 22.98 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 119.528 1.058 . . . . 1.23 113.105 -179.571 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -74.66 -41.99 59.31 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 109.818 -0.438 . . . . 0.99 109.818 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.06 -33.37 50.9 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.294 0.638 . . . . 0.93 110.265 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -75.68 -11.09 59.93 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.047 0.939 . . . . 0.71 111.626 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -47.15 -37.24 9.63 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.986 1.314 . . . . 1.54 113.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -58.88 -42.36 89.32 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.307 0.854 . . . . 2.15 113.307 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.436 ' HB2' HD21 ' B' ' 63' ' ' LEU . 15.6 tp -78.39 -23.92 46.56 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 111.961 0.356 . . . . 0.49 111.961 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.29 -38.88 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.546 0.338 . . . . 0.56 111.104 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.83 91.92 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 112.028 -0.429 . . . . 0.42 112.028 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.73 -26.08 62.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.065 0.546 . . . . 0.91 110.988 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -52.89 63.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.041 0.536 . . . . 0.69 111.024 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -83.15 -16.31 47.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.382 0.882 . . . . 0.55 113.382 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -80.44 -40.07 26.99 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.998 0.363 . . . . 1.1 111.35 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.27 -18.02 55.87 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.491 0.923 . . . . 1.68 113.491 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ILE . . . . . 0.468 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 118.416 0.553 . . . . 0.63 111.912 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 17.6 ptt-85 -93.11 -35.51 13.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.606 0.224 . . . . 1.64 111.606 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -149.81 92.17 1.88 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 111.971 0.36 . . . . 1.65 111.971 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -34.59 25.75 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.894 -0.41 . . . . 2.03 109.894 177.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -126.7 84.61 2.28 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.57 -0.9 . . . . 1.36 108.57 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.67 64.73 4.63 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.466 0.65 . . . . 1.72 112.005 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -174.29 -49.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.188 -0.914 . . . . 1.27 109.975 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.5 -50.25 11.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.301 0.64 . . . . 1.61 110.764 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.3 pt -116.97 138.74 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.179 0.591 . . . . 1.04 110.367 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -137.24 26.15 2.92 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.641 0.608 . . . . 2.42 112.641 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.25 97.16 0.6 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.427 0.291 . . . . 1.86 111.322 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.939 -1.029 . . . . 1.85 110.69 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 112.23 0.456 . . . . 2.71 112.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.53 124.42 19.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.853 0.461 . . . . 1.02 110.408 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.73 116.67 23.37 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.458 -0.337 . . . . 0.7 111.716 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -111.79 141.83 25.5 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.87 0.468 . . . . 1.02 110.825 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.89 136.84 33.66 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 122.802 2.335 . . . . 0.74 113.043 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.0 mt -130.11 -76.2 0.54 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.583 0.353 . . . . 1.19 111.591 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -113.55 166.29 11.66 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.287 0.635 . . . . 0.98 109.839 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.09 -42.01 72.33 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.742 0.645 . . . . 1.42 112.742 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.4 -36.13 60.91 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 111.653 0.242 . . . . 0.65 111.653 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -76.92 -27.35 54.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.671 0.389 . . . . 1.03 110.963 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.15 -34.03 68.2 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.027 0.531 . . . . 0.81 111.026 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -59.7 -52.62 64.73 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.907 0.321 . . . . 0.63 110.942 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.85 -24.06 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 111.647 0.239 . . . . 0.56 111.647 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.55 -35.08 46.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.012 0.525 . . . . 1.0 110.794 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -63.47 -38.84 92.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.688 0.395 . . . . 0.77 111.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.13 -32.3 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.33 0.252 . . . . 0.5 110.969 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -78.81 -52.9 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.447 0.299 . . . . 0.95 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.8 p -65.07 -25.44 67.81 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.657 1.354 . . . . 0.62 114.657 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -80.4 -42.56 22.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.441 0.904 . . . . 0.66 113.441 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CD1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -100.58 -23.02 14.77 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.237 1.199 . . . . 0.95 114.237 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.57 -13.25 61.9 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.185 0.902 . . . . 3.17 113.068 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 m -67.3 -30.0 69.74 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 110.068 -0.345 . . . . 1.37 110.068 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.78 -27.68 13.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.321 0.648 . . . . 1.55 111.158 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.26 66.96 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.144 0.424 . . . . 0.83 112.144 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -65.61 -19.93 66.11 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.147 0.425 . . . . 1.55 112.147 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.01 -44.08 66.99 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.215 0.606 . . . . 1.8 111.87 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.66 -178.66 5.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.44 0.296 . . . . 1.59 110.31 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.33 147.93 12.46 Favored Glycine 0 C--N 1.357 1.71 0 N-CA-C 114.36 0.504 . . . . 0.92 114.36 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 64.94 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.06 0.944 . . . . 2.6 111.809 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -84.92 -40.05 17.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.392 -0.367 . . . . 1.22 111.206 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.51 -15.62 56.27 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 112.638 0.607 . . . . 1.43 112.638 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -90.35 144.4 25.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.482 0.549 . . . . 1.09 112.482 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.22 144.97 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.548 -0.751 . . . . 0.76 109.36 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.9 t -70.01 152.89 43.89 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.071 0.397 . . . . 0.68 112.071 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.33 -24.5 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 N-CA-C 112.597 0.592 . . . . 0.64 112.597 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -96.29 -26.52 15.36 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.152 0.427 . . . . 0.82 112.152 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.83 -33.16 27.22 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.089 0.774 . . . . 1.54 113.089 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -66.18 -33.49 75.89 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.165 0.439 . . . . 0.65 110.843 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -67.31 -35.8 80.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.871 0.468 . . . . 0.87 110.416 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.95 -34.04 64.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.74 0.416 . . . . 0.73 110.624 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 20' ' ' PHE . 16.3 tp -67.85 -40.65 83.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.902 0.481 . . . . 0.65 111.149 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.95 -19.34 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.648 0.379 . . . . 0.45 111.563 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -107.96 13.27 26.31 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 112.055 0.391 . . . . 0.8 112.055 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -138.22 -56.68 0.65 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.064 0.393 . . . . 1.1 111.858 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -98.69 -17.69 18.43 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.809 0.67 . . . . 0.84 112.809 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.45 47.99 3.19 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-N 118.015 0.37 . . . . 0.67 111.327 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -84.41 -34.84 0.22 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 122.567 2.178 . . . . 0.52 115.229 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -70.12 -35.32 74.02 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.882 0.697 . . . . 0.85 112.882 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.05 -69.36 0.3 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.571 0.348 . . . . 0.87 111.534 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.99 100.52 11.11 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.734 -0.469 . . . . 0.73 109.734 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -38.38 56.56 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.701 1.0 . . . . 1.32 113.701 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.23 73.59 10.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.811 0.339 . . . . 2.08 110.55 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.15 -33.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 116.441 -0.345 . . . . 0.71 111.155 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.95 -40.89 6.48 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 119.83 -0.428 . . . . 0.83 112.614 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -88.59 71.05 8.9 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 121.306 0.574 . . . . 0.85 109.769 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 2.49 30.89 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.401 -0.818 . . . . 1.22 110.98 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.48 -30.38 71.51 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.383 0.512 . . . . 0.77 112.383 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.12 -45.06 95.14 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.546 0.338 . . . . 1.09 110.868 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -84.59 -33.35 23.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.357 0.263 . . . . 1.55 111.217 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.3 ttp -54.75 -36.99 65.39 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.769 0.427 . . . . 0.84 111.987 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.46 -40.56 35.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.094 0.246 . . . . 2.56 110.998 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -66.53 -31.86 72.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.791 0.436 . . . . 0.61 111.794 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 79' ' ' LEU . 19.1 mt -65.6 -59.98 3.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.091 0.556 . . . . 0.68 111.351 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.09 80.44 9.18 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.209 0.528 . . . . 1.39 109.9 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.94 -28.68 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 115.658 -0.701 . . . . 0.73 111.933 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -86.82 -27.07 23.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.605 0.362 . . . . 1.44 111.522 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 58.77 84.06 0.11 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 123.694 0.798 . . . . 1.96 111.649 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -117.09 -70.63 0.78 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.02 -0.536 . . . . 1.41 109.779 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 m -164.43 -55.6 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.204 0.602 . . . . 1.31 110.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.37 175.31 5.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.205 0.602 . . . . 2.42 110.772 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.0 99.67 10.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.961 0.504 . . . . 0.95 111.523 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.44 162.7 19.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.487 -0.931 . . . . 1.89 108.487 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.62 -29.14 69.05 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.515 1.052 . . . . 1.2 112.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.94 -28.26 64.36 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 110.115 -0.328 . . . . 0.98 110.115 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.25 -43.31 11.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.357 0.663 . . . . 1.03 110.549 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.64 ' HA ' HD22 ' A' ' 63' ' ' LEU . 41.6 t80 -68.36 -17.53 64.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.707 0.803 . . . . 0.69 112.187 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -53.74 -25.05 16.95 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.259 1.023 . . . . 1.62 113.319 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' HD23 ' A' ' 63' ' ' LEU . 6.8 mmm-85 -66.6 -25.07 66.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.22 0.464 . . . . 1.96 111.698 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.653 ' HB2' HD21 ' A' ' 63' ' ' LEU . 14.0 tp -93.55 -25.89 17.37 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 122.826 0.451 . . . . 0.53 110.295 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.48 -37.71 80.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 122.79 0.436 . . . . 0.61 109.954 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.5 -41.64 57.44 Favored Glycine 0 C--N 1.357 1.717 0 N-CA-C 111.563 -0.615 . . . . 0.47 111.563 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.94 -22.73 65.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.62 0.368 . . . . 0.86 110.676 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -49.21 77.33 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.005 0.522 . . . . 0.67 110.664 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.76 42.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.645 0.609 . . . . 0.55 112.645 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -87.42 -37.38 17.08 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 117.977 0.353 . . . . 0.96 111.226 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -87.18 -7.75 57.62 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.196 0.443 . . . . 1.65 112.196 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.415 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -66.61 -38.72 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 118.094 0.406 . . . . 0.66 111.297 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.33 -30.13 9.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.791 0.663 . . . . 1.74 112.791 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -134.04 65.72 1.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.716 0.636 . . . . 1.52 112.716 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.36 59.2 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.818 -0.438 . . . . 1.87 109.818 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -137.34 70.51 1.4 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.599 0.76 . . . . 1.53 108.957 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.2 72.1 3.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.508 0.67 . . . . 1.81 111.181 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tp -171.04 -48.4 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.218 -0.901 . . . . 1.24 110.416 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -89.93 -54.17 4.16 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.855 0.462 . . . . 1.73 110.604 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.2 pt -113.92 125.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.034 0.534 . . . . 1.06 109.803 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -142.74 40.38 1.54 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.401 0.519 . . . . 2.26 112.401 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -152.74 69.27 0.85 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.959 0.409 . . . . 1.74 111.967 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 tttp . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 122.829 0.452 . . . . 1.71 109.973 179.2 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.165 0.431 . . . . 1.75 112.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.03 161.48 13.7 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.433 0.293 . . . . 0.78 111.501 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.511 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -93.86 125.01 38.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.135 -0.484 . . . . 0.69 111.612 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -120.45 141.5 32.14 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.589 . . . . 1.1 110.038 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.2 141.32 49.22 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 123.038 2.492 . . . . 0.83 114.29 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -136.26 -128.46 0.15 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 119.011 -0.518 . . . . 1.24 110.324 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -80.12 161.97 25.01 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.163 0.892 . . . . 1.06 110.871 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -41.43 -48.69 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.124 1.157 . . . . 1.51 114.124 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.6 -41.21 63.15 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 111.778 0.288 . . . . 0.65 111.778 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.82 -37.34 79.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.954 0.502 . . . . 0.95 111.427 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.38 -32.79 74.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.412 0.685 . . . . 0.85 112.406 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -63.04 -55.23 27.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.946 0.339 . . . . 0.56 110.669 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.59 -18.07 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 111.88 0.326 . . . . 0.53 111.88 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.511 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 7.4 tm-20 -78.53 -40.47 34.99 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.364 0.666 . . . . 1.0 110.74 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -63.59 -34.7 78.39 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.014 0.376 . . . . 0.88 112.014 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.08 -32.12 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.284 0.234 . . . . 0.56 110.979 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.46 -53.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 122.896 0.478 . . . . 0.97 110.759 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -63.29 -28.08 69.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.501 1.297 . . . . 0.67 114.501 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -71.42 -49.37 42.49 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.911 0.708 . . . . 0.69 112.911 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -90.09 -19.64 24.1 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.422 0.897 . . . . 1.02 113.422 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.5 -21.17 66.6 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 118.93 0.786 . . . . 3.08 112.656 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -62.96 -31.12 72.16 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.713 0.405 . . . . 1.37 111.252 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.64 -27.39 13.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.914 0.486 . . . . 1.54 111.804 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.24 61.19 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.517 0.562 . . . . 0.85 112.517 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -59.59 -32.09 70.07 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.922 0.712 . . . . 1.73 112.922 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -58.88 -33.69 70.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.937 0.718 . . . . 1.68 112.937 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -89.98 176.58 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.343 0.257 . . . . 1.45 110.776 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.74 142.58 45.75 Favored Glycine 0 C--N 1.356 1.654 0 N-CA-C 113.958 0.343 . . . . 0.86 113.958 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.45 114.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.001 0.92 . . . . 2.62 112.01 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -62.48 -40.26 96.11 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.421 0.288 . . . . 1.11 111.562 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.15 -27.61 63.67 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 111.804 0.298 . . . . 1.36 111.804 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -83.19 147.22 28.16 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 112.228 0.455 . . . . 1.13 112.228 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.33 151.08 23.87 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.41 -0.814 . . . . 0.79 109.967 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.5 t -74.16 158.78 33.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.526 0.331 . . . . 0.69 111.535 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.46 -19.39 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 112.256 0.465 . . . . 0.71 112.256 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.45 -42.59 6.54 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.611 0.365 . . . . 0.83 111.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.32 -36.99 82.59 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.577 0.584 . . . . 1.61 112.577 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.6 -37.12 84.22 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 117.953 0.342 . . . . 0.66 110.249 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.297 0.639 . . . . 0.81 110.274 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 -28.92 63.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.821 0.448 . . . . 0.69 111.197 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.6 -36.58 84.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.824 0.45 . . . . 0.68 110.667 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.471 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 67.9 t -74.72 -30.09 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 122.621 0.368 . . . . 0.48 111.171 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.35 27.77 4.51 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.447 0.299 . . . . 0.83 111.769 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -154.65 -52.79 0.09 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 112.282 0.475 . . . . 0.98 112.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -112.83 -6.42 13.82 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.584 0.957 . . . . 0.73 113.584 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.9 OUTLIER -137.71 39.11 0.39 Allowed Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 118.449 0.568 . . . . 0.62 112.244 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.38 -33.81 2.32 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.232 1.954 . . . . 0.48 114.309 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -72.11 -30.1 64.73 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.319 0.489 . . . . 0.81 112.319 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.26 -53.49 16.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 117.524 0.147 . . . . 0.88 110.947 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.0 102.72 14.54 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.135 -0.691 . . . . 0.7 109.135 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -34.11 67.8 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.945 0.721 . . . . 1.23 112.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -93.1 83.17 4.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.745 0.418 . . . . 1.94 110.104 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -86.29 -30.99 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 116.179 -0.464 . . . . 0.6 111.97 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.42 -55.84 8.32 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.825 -0.431 . . . . 0.67 113.46 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 43.6 t -88.55 69.11 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.19 0.519 . . . . 0.92 111.035 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 56' ' ' LEU . 1.3 tm? -76.53 -21.19 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.998 -0.546 . . . . 1.24 111.146 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.62 -25.7 53.87 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.655 0.983 . . . . 0.73 113.655 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.26 -38.14 79.36 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 117.754 0.252 . . . . 1.1 111.072 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -94.91 -37.16 11.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.745 0.418 . . . . 1.47 110.572 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 40.9 ttp -49.79 -43.25 48.23 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.527 0.731 . . . . 0.81 112.76 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -67.01 -35.02 79.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.181 0.192 . . . . 2.39 111.199 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -73.47 -25.95 60.7 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.616 0.367 . . . . 0.63 111.615 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' B' ' 79' ' ' LEU . 60.1 mt -74.65 -66.03 0.79 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 122.55 0.34 . . . . 0.69 110.833 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.5 76.43 4.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 109.779 -0.452 . . . . 1.32 109.779 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -81.69 -29.79 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 115.89 -0.595 . . . . 0.72 111.719 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -74.47 -26.96 60.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.805 0.298 . . . . 1.38 111.805 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 67.24 72.22 0.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.804 0.842 . . . . 2.02 111.097 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -140.05 15.09 2.45 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.438 -0.801 . . . . 1.3 111.745 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 57.53 26.1 12.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.331 0.652 . . . . 1.35 112.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -143.09 121.28 12.2 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.361 -0.607 . . . . 2.4 109.361 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -95.33 86.9 4.65 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.281 0.363 . . . . 1.13 110.901 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -66.14 171.41 4.68 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.842 -0.799 . . . . 1.81 108.842 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.61 -23.51 66.84 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.402 1.001 . . . . 1.23 111.677 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -73.69 -32.02 63.72 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.346 -0.613 . . . . 0.99 109.346 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.73 -47.27 13.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 123.254 0.621 . . . . 0.93 109.663 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.477 ' HA ' HD22 ' B' ' 63' ' ' LEU . 33.7 t80 -67.71 -16.84 64.34 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.639 0.775 . . . . 0.71 111.833 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -50.89 -34.58 28.89 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.35 1.06 . . . . 1.54 112.694 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.622 ' HB2' HD23 ' B' ' 63' ' ' LEU . 28.6 mmm-85 -64.45 -32.32 73.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.382 -0.342 . . . . 2.15 111.846 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.659 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.5 tp -81.43 -30.82 33.39 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 119.389 -0.339 . . . . 0.49 110.584 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.07 -38.96 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 109.317 -0.623 . . . . 0.56 109.317 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.71 80.77 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 111.759 -0.537 . . . . 0.42 111.759 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -72.56 -22.89 60.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.622 0.369 . . . . 0.91 111.692 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -52.75 39.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.755 0.422 . . . . 0.69 110.365 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.52 -18.57 58.65 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.295 0.48 . . . . 0.55 112.295 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -84.8 -35.6 22.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.967 0.507 . . . . 1.1 111.452 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -92.85 38.84 1.03 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 111.926 0.343 . . . . 1.68 111.926 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -44.37 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.629 0.371 . . . . 0.63 110.601 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 -36.02 9.41 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.71 0.404 . . . . 1.64 111.842 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -120.5 43.07 2.83 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 111.799 0.296 . . . . 1.65 111.799 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -62.87 -44.18 96.8 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 122.474 -0.141 . . . . 2.03 111.34 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -124.21 72.57 1.18 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.217 -0.66 . . . . 1.36 109.217 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.27 70.44 5.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.478 0.656 . . . . 1.72 110.712 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -167.55 -49.72 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.36 -0.837 . . . . 1.27 110.694 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -99.48 -49.04 4.56 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.092 0.557 . . . . 1.61 111.178 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -120.32 127.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.892 0.477 . . . . 1.04 111.285 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -134.76 35.2 3.13 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.084 0.402 . . . . 2.42 112.084 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -162.85 108.62 1.16 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.753 0.311 . . . . 1.86 111.565 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.293 -0.861 . . . . 1.85 110.079 179.408 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.407 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 N-CA-C 112.769 0.655 . . . . 2.71 112.769 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.28 150.06 50.22 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.923 0.489 . . . . 1.02 110.432 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.46 129.45 38.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.367 0.267 . . . . 0.7 111.529 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.49 135.97 14.29 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 122.957 0.503 . . . . 1.02 110.464 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.13 143.15 25.32 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.391 2.061 . . . . 0.74 113.688 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.61 -62.0 0.71 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.908 0.483 . . . . 1.19 110.924 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -111.64 164.87 12.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.677 0.791 . . . . 0.98 110.224 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.89 -43.5 94.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.416 0.525 . . . . 1.42 112.416 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD11 HD11 ' B' ' 41' ' ' LEU . 79.5 mt -72.86 -29.98 63.62 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.623 0.231 . . . . 0.65 111.623 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.78 -40.99 65.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.603 -0.518 . . . . 1.03 109.603 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.33 -27.88 69.62 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.998 0.519 . . . . 0.81 111.741 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -61.79 -42.77 99.43 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.29 0.236 . . . . 0.63 111.367 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -93.61 -17.02 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.179 0.437 . . . . 0.56 112.179 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -81.23 -39.89 24.66 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.119 0.568 . . . . 1.0 111.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.7 m -61.55 -31.86 71.91 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.562 0.345 . . . . 0.77 111.462 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.49 -31.03 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 C-N-CA 122.506 0.322 . . . . 0.5 110.49 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.11 -65.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 123.145 0.578 . . . . 0.95 110.984 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -55.11 -34.01 63.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.62 114.805 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -72.97 -46.84 50.08 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.113 0.783 . . . . 0.66 113.113 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.91 -22.29 17.52 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.031 1.123 . . . . 0.95 114.031 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 2.5 m-85 -58.8 -21.54 56.4 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.279 0.945 . . . . 3.17 112.629 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.4 m -64.49 -35.73 81.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 110.154 -0.313 . . . . 1.37 110.154 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -91.22 -32.64 15.7 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.989 0.516 . . . . 1.55 110.76 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 21' ' ' PHE . . . -72.31 -18.18 61.8 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.435 0.902 . . . . 0.83 113.435 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -86.15 10.3 14.89 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.158 0.799 . . . . 1.55 113.158 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -80.43 -36.8 33.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.707 0.403 . . . . 1.8 112.004 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.78 -175.02 3.16 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.759 0.424 . . . . 1.59 111.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.76 140.55 25.67 Favored Glycine 0 C--N 1.363 2.035 0 N-CA-C 114.37 0.508 . . . . 0.92 114.37 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? 64.76 120.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.259 1.024 . . . . 2.6 110.597 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -71.36 -27.79 63.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 111.911 0.337 . . . . 1.22 111.911 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -98.03 54.73 1.13 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.583 0.353 . . . . 1.43 110.701 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -157.17 152.76 26.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.202 0.445 . . . . 1.09 112.202 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.42 124.04 48.88 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.369 -0.604 . . . . 0.76 109.369 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.2 t -59.79 153.72 19.96 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.204 0.446 . . . . 0.68 112.204 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.91 -28.36 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 112.628 0.603 . . . . 0.64 112.628 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.79 -22.53 18.01 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.469 0.544 . . . . 0.82 112.469 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.97 -30.41 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.601 0.593 . . . . 1.54 112.601 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 -36.87 68.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.781 0.264 . . . . 0.65 111.121 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.53 -40.16 95.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.231 0.612 . . . . 0.87 111.389 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.33 -29.06 63.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.875 0.47 . . . . 0.73 111.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.91 -36.99 83.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.483 0.313 . . . . 0.65 110.708 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.94 -25.41 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 C-N-CA 122.77 0.428 . . . . 0.45 111.08 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -103.55 27.36 7.47 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 112.434 0.531 . . . . 0.8 112.434 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -153.12 -63.37 0.15 Allowed 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.704 -0.623 . . . . 1.1 112.118 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -99.03 -6.96 27.55 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.44 0.533 . . . . 0.84 112.44 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -140.6 47.47 1.14 Allowed Pre-proline 0 CA--C 1.564 1.487 0 CA-C-N 118.149 0.431 . . . . 0.67 111.801 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 77.2 Cg_endo -86.87 -34.6 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.381 0 C-N-CA 122.404 2.069 . . . . 0.52 115.469 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.44 -19.93 60.22 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.703 0.631 . . . . 0.85 112.703 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -74.13 -56.5 4.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.648 0.379 . . . . 0.87 110.787 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.48 117.93 31.28 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.649 -0.5 . . . . 0.73 109.649 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -63.01 -29.56 70.92 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.378 0.51 . . . . 1.32 112.378 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -97.54 92.97 6.18 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 110.047 -0.353 . . . . 2.08 110.047 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.6 m -97.78 -36.94 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.06 0.392 . . . . 0.71 112.06 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.66 -51.75 6.98 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 119.886 -0.397 . . . . 0.83 112.98 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -87.96 75.84 8.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.038 0.446 . . . . 0.85 110.194 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 0.64 57.24 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.883 -0.599 . . . . 1.22 112.167 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.01 -27.59 67.55 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.096 0.776 . . . . 0.77 113.096 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.79 -43.11 89.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 111.562 0.208 . . . . 1.09 111.562 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.64 -33.02 20.25 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.574 -0.251 . . . . 1.55 110.973 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.7 ttp -58.53 -39.91 81.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.874 0.47 . . . . 0.84 112.181 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -67.59 -35.73 79.53 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 122.923 0.14 . . . . 2.56 111.077 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.4 m -67.79 -35.79 79.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.331 0.252 . . . . 0.61 110.922 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 79' ' ' LEU . 27.7 mt -69.94 -53.89 15.82 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.891 0.477 . . . . 0.68 111.189 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.51 77.83 7.28 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 121.215 0.531 . . . . 1.39 110.37 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 p -91.12 -35.89 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.44 -0.8 . . . . 0.73 111.605 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.46 -19.56 52.85 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 111.889 0.329 . . . . 1.44 111.889 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 66.41 56.97 0.74 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.682 0.793 . . . . 1.96 111.614 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.28 19.07 12.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.037 0.384 . . . . 1.41 112.037 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 t 70.34 -66.71 0.27 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.848 0.859 . . . . 1.31 111.844 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.77 133.75 44.66 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.922 0.328 . . . . 2.42 111.15 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -88.87 95.09 10.16 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.936 -0.575 . . . . 0.95 110.396 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -66.56 158.36 29.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 108.982 -0.747 . . . . 1.89 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -27.9 63.67 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.7 0.682 . . . . 1.2 112.602 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -69.65 -34.44 74.0 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.775 -0.454 . . . . 0.98 109.775 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.95 -36.11 25.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.08 0.552 . . . . 1.03 110.253 177.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HA ' HD22 ' A' ' 63' ' ' LEU . 22.7 t80 -69.77 -13.19 62.16 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.571 0.748 . . . . 0.69 111.979 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -24.13 22.7 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.641 0.776 . . . . 1.62 112.879 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.9 mmm-85 -70.82 -26.76 63.44 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 118.448 0.567 . . . . 1.96 111.733 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.743 ' HB2' HD21 ' A' ' 63' ' ' LEU . 12.5 tp -93.99 -32.53 13.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.99 0.516 . . . . 0.53 110.389 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.8 mm -57.0 -38.5 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 109.557 -0.535 . . . . 0.61 109.557 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.46 81.87 Favored Glycine 0 C--N 1.355 1.611 0 N-CA-C 111.463 -0.655 . . . . 0.47 111.463 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.39 -34.04 77.38 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 0.86 111.34 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.93 -43.32 93.15 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 110.08 -0.341 . . . . 0.67 110.08 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -31.08 59.91 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.072 -0.513 . . . . 0.55 112.367 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -36.58 24.03 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.089 0.774 . . . . 0.96 113.089 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.34 33.99 0.75 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.096 0.776 . . . . 1.65 113.096 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.54 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -102.58 -36.34 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 122.595 0.358 . . . . 0.66 111.142 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.504 ' HD2' HG11 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -114.47 -37.83 4.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.026 0.751 . . . . 1.74 113.026 -178.668 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -119.37 47.31 1.72 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.598 0.592 . . . . 1.52 112.598 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -36.25 78.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.487 -0.324 . . . . 1.87 110.834 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.48 51.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.341 0.656 . . . . 1.53 109.645 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.59 -33.56 9.99 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.384 1.253 . . . . 1.81 114.384 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.0 tp -78.24 -40.46 37.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.609 0.225 . . . . 1.24 111.609 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -80.99 -66.17 0.92 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.625 0.37 . . . . 1.73 111.183 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 pt -121.73 130.84 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.652 0.381 . . . . 1.06 110.622 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -130.76 42.34 3.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.631 0.604 . . . . 2.26 112.631 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -156.21 100.56 2.01 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.486 0.314 . . . . 1.74 110.647 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.9 tttp . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 116.533 -0.303 . . . . 1.71 110.584 -179.761 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 112.685 0.624 . . . . 1.75 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 146.96 25.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.613 0.365 . . . . 0.78 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.59 35.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.48 -0.327 . . . . 0.69 110.946 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.62 138.3 31.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-O 119.259 -0.401 . . . . 1.1 111.385 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.31 114.3 2.62 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.666 2.244 . . . . 0.83 112.74 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.51 -153.22 0.52 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.996 0.518 . . . . 1.24 110.288 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -61.28 161.21 9.33 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.705 0.684 . . . . 1.06 111.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -37.84 -58.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.971 1.471 . . . . 1.51 114.971 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.22 -29.47 66.3 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.587 0.63 . . . . 0.65 112.26 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -79.24 -27.57 42.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.617 0.367 . . . . 0.95 110.954 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.98 -25.57 29.91 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.486 0.714 . . . . 0.85 111.426 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -61.49 -48.07 82.74 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.48 0.312 . . . . 0.56 110.999 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.406 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -76.47 -21.33 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 122.47 0.308 . . . . 0.53 111.338 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.406 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.6 tm-20 -72.45 -34.1 67.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.15 0.58 . . . . 1.0 111.429 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -56.32 -30.93 63.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.758 0.423 . . . . 0.88 111.89 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.86 -28.5 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.918 0.487 . . . . 0.56 110.847 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.504 HG11 ' HD2' ' A' ' 88' ' ' ARG . 4.3 t -99.92 35.43 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.414 0 C-N-CA 123.084 0.554 . . . . 0.97 110.781 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -147.14 -47.88 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 122.112 -0.368 . . . . 0.67 111.787 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -69.26 -47.56 64.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.559 0.344 . . . . 0.69 111.744 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -100.58 -10.93 20.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.461 0.911 . . . . 1.02 113.461 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -60.34 -30.88 69.82 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 119.002 0.819 . . . . 3.08 112.085 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -64.6 -37.74 88.6 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.762 0.425 . . . . 1.37 111.333 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -84.6 -31.0 24.53 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.747 0.419 . . . . 1.54 111.155 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -31.97 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.562 0.579 . . . . 0.85 112.562 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -77.88 -11.62 59.91 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.019 0.748 . . . . 1.73 113.019 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.27 -33.32 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.01 0.368 . . . . 1.68 111.734 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -97.2 -170.55 2.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.953 0.501 . . . . 1.45 110.068 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.73 144.52 41.03 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 114.1 0.4 . . . . 0.86 114.1 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 65.69 141.34 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.24 1.016 . . . . 2.62 112.064 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -75.36 -53.32 8.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.054 -0.521 . . . . 1.11 111.487 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -92.87 57.69 2.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.656 0.382 . . . . 1.36 110.444 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -150.78 120.43 6.99 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 116.404 -0.362 . . . . 1.13 111.647 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.1 mp -89.03 129.59 35.64 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.347 -0.612 . . . . 0.79 109.347 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -66.79 153.18 44.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 111.877 0.325 . . . . 0.69 111.877 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.32 -28.7 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 112.486 0.551 . . . . 0.71 112.486 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -92.35 -34.59 14.13 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 111.719 0.266 . . . . 0.83 111.719 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.62 -33.15 73.54 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.636 0.606 . . . . 1.61 112.636 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -31.67 61.77 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.878 0.308 . . . . 0.66 111.013 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -64.48 -39.49 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.371 0.269 . . . . 0.81 110.741 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.83 -30.89 67.44 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.977 0.511 . . . . 0.69 110.601 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.417 HD11 HD11 ' A' ' 9' ' ' LEU . 32.8 tp -67.1 -35.67 80.28 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.089 0.556 . . . . 0.68 111.399 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.59 -34.02 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.543 0.337 . . . . 0.48 111.292 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -98.83 39.55 1.26 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.036 0.384 . . . . 0.83 112.036 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -163.66 -55.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.074 0.398 . . . . 0.98 112.074 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.75 -15.42 14.96 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.845 0.683 . . . . 0.73 112.845 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -135.44 44.02 1.03 Allowed Pre-proline 0 CA--C 1.56 1.359 0 N-CA-C 112.177 0.436 . . . . 0.62 112.177 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.34 -32.1 1.03 Allowed 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.949 1.766 . . . . 0.48 114.858 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -74.46 -32.73 62.68 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.777 0.658 . . . . 0.81 112.777 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.59 -55.11 9.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.299 0.239 . . . . 0.88 111.4 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.13 109.24 20.13 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.803 -0.443 . . . . 0.7 109.803 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -55.4 -35.48 65.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.922 0.712 . . . . 1.23 112.922 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -96.23 92.76 6.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.366 0.266 . . . . 1.94 110.427 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.9 m -87.51 -43.05 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.526 -0.306 . . . . 0.6 111.248 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.82 -17.67 50.81 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 119.621 -0.544 . . . . 0.67 113.464 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.4 t -104.91 43.97 1.06 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 117.367 0.584 . . . . 0.92 111.101 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.94 68.36 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.331 0.586 . . . . 1.24 109.537 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -119.92 -41.52 2.66 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.61 -0.723 . . . . 0.73 110.874 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.75 -37.28 83.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.308 0.243 . . . . 1.1 110.625 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -82.49 -34.21 28.08 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.514 0.326 . . . . 1.47 110.847 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' MET . . . . . 0.476 ' HA ' HD12 ' B' ' 63' ' ' LEU . 49.0 ttp -63.03 -37.84 88.79 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 112.121 0.415 . . . . 0.81 112.121 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.34 -38.23 71.64 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.148 0.179 . . . . 2.39 110.652 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -72.32 -26.56 61.99 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.168 0.293 . . . . 0.63 110.566 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' B' ' 79' ' ' LEU . 12.8 mt -69.7 -63.57 1.05 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.622 0.769 . . . . 0.69 111.353 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.88 77.38 5.35 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 121.092 0.472 . . . . 1.32 110.346 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.03 -31.39 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 CA-C-N 116.015 -0.539 . . . . 0.72 111.449 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -70.62 -28.04 64.53 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.822 0.304 . . . . 1.38 111.822 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 62.29 77.65 0.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.595 0.758 . . . . 2.02 111.655 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -129.06 -70.62 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 1.3 110.603 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -177.43 -50.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.137 0.575 . . . . 1.35 111.277 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -113.52 148.17 36.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.816 0.446 . . . . 2.4 110.503 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.33 103.54 8.34 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.695 -0.23 . . . . 1.13 111.355 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -66.74 164.98 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.007 -0.738 . . . . 1.81 109.007 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -27.64 68.57 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.065 0.848 . . . . 1.23 111.684 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.03 -37.53 69.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 109.742 -0.466 . . . . 0.99 109.742 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.57 -33.39 41.78 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.76 0.424 . . . . 0.93 111.118 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -77.95 -9.78 59.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.736 0.414 . . . . 0.71 111.988 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -24.53 45.22 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.578 0.751 . . . . 1.54 111.935 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.479 ' HB2' HD23 ' B' ' 63' ' ' LEU . 63.6 mmt-85 -64.9 -42.1 95.04 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.918 0.487 . . . . 2.15 112.074 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.585 ' HB2' HD21 ' B' ' 63' ' ' LEU . 5.9 tp -75.25 -30.74 60.58 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 119.516 -0.278 . . . . 0.49 111.457 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.7 mm -58.83 -38.34 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 109.671 -0.492 . . . . 0.56 109.671 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.49 -34.41 44.91 Favored Glycine 0 C--N 1.36 1.867 0 O-C-N 123.384 0.428 . . . . 0.42 112.032 177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.43 -31.55 67.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.989 0.516 . . . . 0.91 110.451 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.09 -48.9 79.8 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 123.386 0.674 . . . . 0.69 110.717 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.39 54.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.046 0.387 . . . . 0.55 112.046 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.67 -35.31 65.21 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.468 0.307 . . . . 1.1 111.58 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -100.09 37.34 1.66 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.838 0.455 . . . . 1.68 112.131 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.494 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -101.82 -39.81 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 122.841 0.457 . . . . 0.63 110.084 178.72 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -36.21 4.65 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.177 0.436 . . . . 1.64 112.177 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -120.16 58.28 0.92 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 112.187 0.44 . . . . 1.65 112.187 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -34.23 38.8 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.326 -0.62 . . . . 2.03 109.326 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -138.05 63.14 1.55 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 108.661 -0.866 . . . . 1.36 108.661 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.17 -32.68 70.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.414 0.894 . . . . 1.72 113.414 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 tp -74.22 -36.9 63.98 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.137 0.421 . . . . 1.27 112.137 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -84.37 -41.96 16.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.757 0.423 . . . . 1.61 112.047 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.6 pt -135.63 157.2 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.798 0.439 . . . . 1.04 111.39 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.51 42.48 0.99 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 112.858 0.688 . . . . 2.42 112.858 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -177.04 115.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 111.734 0.272 . . . . 1.86 111.734 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 36.1 tttp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.08 -0.962 . . . . 1.85 110.701 179.118 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.437 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.925 0.713 . . . . 2.71 112.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.88 158.05 15.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.735 0.414 . . . . 1.02 110.325 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.03 122.4 44.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.821 0.304 . . . . 0.7 111.821 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.91 139.2 27.84 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.359 0.664 . . . . 1.02 110.408 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -85.49 140.24 7.21 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.562 2.175 . . . . 0.74 113.149 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 mt -133.57 -58.03 0.88 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.891 0.476 . . . . 1.19 111.201 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -107.23 157.99 17.47 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.328 0.651 . . . . 0.98 110.06 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.67 -44.97 81.92 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.866 0.466 . . . . 1.42 112.188 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.31 -31.52 67.53 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 119.719 -0.182 . . . . 0.65 111.48 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.37 -32.98 64.81 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.199 -0.297 . . . . 1.03 110.199 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.06 -26.7 64.13 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.6 0.36 . . . . 0.81 110.823 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -62.04 -42.55 99.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.5 0.32 . . . . 0.63 111.135 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.9 pp -89.3 -13.58 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.098 0.407 . . . . 0.56 112.098 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.85 -43.23 16.86 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.723 0.409 . . . . 1.0 110.781 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -59.67 -34.22 72.56 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.017 0.527 . . . . 0.77 112.181 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.03 -26.17 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 C-N-CA 122.643 0.377 . . . . 0.5 111.156 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -82.54 -72.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 122.678 0.391 . . . . 0.95 111.904 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.2 p -50.58 -36.42 34.65 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.654 1.353 . . . . 0.62 114.654 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.6 m -64.84 -42.68 94.71 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.952 0.723 . . . . 0.66 112.952 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -102.78 -30.13 11.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.158 0.799 . . . . 0.95 113.158 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 7.3 m-85 -63.51 -17.84 63.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.115 0.783 . . . . 3.17 113.115 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.5 m -62.71 -34.3 76.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.187 0.448 . . . . 1.37 110.372 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -97.95 -21.95 16.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.275 0.63 . . . . 1.55 111.545 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 21' ' ' PHE . . . -78.18 -16.6 57.74 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.733 1.012 . . . . 0.83 113.733 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.32 6.98 34.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 113.281 0.845 . . . . 1.55 113.281 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -76.92 -31.17 56.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.751 0.42 . . . . 1.8 112.051 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -127.88 137.53 52.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.706 0.402 . . . . 1.59 111.557 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.76 92.04 0.01 OUTLIER Glycine 0 C--N 1.349 1.299 0 N-CA-C 116.093 1.197 . . . . 0.92 116.093 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? 58.82 169.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.009 1.114 . . . . 2.6 114.009 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -93.09 -33.53 14.03 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.88 -0.6 . . . . 1.22 112.006 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.5 67.36 2.87 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.629 0.372 . . . . 1.43 111.923 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 p -169.28 154.44 5.85 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.934 0.716 . . . . 1.09 112.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.21 141.78 33.6 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.629 -0.878 . . . . 0.76 108.629 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -79.89 143.85 33.92 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.839 0.291 . . . . 0.68 111.513 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.96 -26.0 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 N-CA-C 112.581 0.586 . . . . 0.64 112.581 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -87.02 -32.62 19.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.496 0.318 . . . . 0.82 111.044 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.42 -22.92 28.13 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.822 0.675 . . . . 1.54 112.822 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -35.37 80.22 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.367 0.531 . . . . 0.65 110.244 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.01 -41.96 63.72 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.978 0.511 . . . . 0.87 110.809 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.97 -34.38 77.98 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.05 0.219 . . . . 0.73 110.867 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.58 -38.68 92.06 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.634 0.374 . . . . 0.65 110.775 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.0 t -73.07 -31.94 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 122.763 0.425 . . . . 0.45 111.345 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.67 31.9 4.17 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 112.058 0.392 . . . . 0.8 112.058 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.36 -60.95 0.17 Allowed 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.923 -0.486 . . . . 1.1 111.919 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.23 1.41 18.63 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.778 0.658 . . . . 0.84 112.778 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.43 HD11 HD22 ' A' ' 49' ' ' LEU . 7.9 tp -142.22 47.83 0.99 Allowed Pre-proline 0 CA--C 1.561 1.397 0 CA-C-N 118.445 0.566 . . . . 0.67 111.787 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -83.3 -39.17 0.13 Allowed 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.19 1.927 . . . . 0.52 114.822 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -73.77 -21.6 60.12 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.791 0.663 . . . . 0.85 112.791 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 HD11 ' B' ' 13' ' ' ILE . 12.7 tp -68.67 -52.76 27.58 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.995 0.368 . . . . 0.87 111.995 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.49 134.68 39.38 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 110.361 -0.237 . . . . 0.73 110.361 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -63.9 -31.47 72.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.719 0.266 . . . . 1.32 111.719 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -109.99 120.16 41.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.976 0.51 . . . . 2.08 109.924 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.07 -15.26 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.761 0.652 . . . . 0.71 112.761 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.15 -49.21 1.25 Allowed Glycine 0 C--N 1.353 1.502 0 CA-C-N 117.791 0.269 . . . . 0.83 113.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -86.86 77.93 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.974 0.416 . . . . 0.85 111.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.45 13.77 32.16 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.905 -0.589 . . . . 1.22 111.094 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.91 -34.62 78.55 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 112.25 0.463 . . . . 0.77 112.25 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -67.26 -28.38 67.99 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.567 0.347 . . . . 1.09 110.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.86 -45.36 8.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.399 0.68 . . . . 1.55 110.984 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.0 ttp -52.16 -43.73 64.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.221 0.608 . . . . 0.84 112.301 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.61 -37.28 73.82 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 122.924 0.14 . . . . 2.56 111.265 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.1 m -68.73 -31.28 70.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.353 0.261 . . . . 0.61 111.107 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 79' ' ' LEU . 41.3 mt -76.01 -55.79 5.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.025 0.53 . . . . 0.68 110.883 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.6 72.78 10.64 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 120.967 0.413 . . . . 1.39 109.931 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 p -92.09 -24.38 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-N 116.062 -0.517 . . . . 0.73 111.527 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -72.34 -28.12 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.786 0.434 . . . . 1.44 111.8 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.78 89.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.89 0.876 . . . . 1.96 111.188 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -141.16 -70.13 0.37 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.325 0.25 . . . . 1.41 110.974 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -174.17 -58.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.941 0.496 . . . . 1.31 110.507 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -113.73 157.85 21.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.734 0.414 . . . . 2.42 111.319 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.32 103.66 16.27 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.754 -0.657 . . . . 0.95 112.022 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.28 177.82 2.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.646 0.378 . . . . 1.89 109.997 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.46 -31.0 69.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.447 0.567 . . . . 1.2 110.314 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -70.72 -29.43 65.69 Favored 'General case' 0 CA--C 1.552 1.04 0 O-C-N 123.211 0.319 . . . . 0.98 110.634 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.21 -40.29 13.8 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.789 0.436 . . . . 1.03 110.225 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.667 ' HA ' HD22 ' A' ' 63' ' ' LEU . 68.0 t80 -73.19 -12.95 61.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.37 0.668 . . . . 0.69 111.261 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -53.15 -26.12 15.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.433 1.093 . . . . 1.62 113.075 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.684 ' HB2' HD23 ' A' ' 63' ' ' LEU . 26.8 mmm-85 -68.76 -26.96 65.49 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 118.223 0.465 . . . . 1.96 111.821 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 63' ' ' LEU . 9.7 tp -90.57 -31.1 16.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 110.085 -0.339 . . . . 0.53 110.085 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.9 mm -51.51 -38.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.881 -0.414 . . . . 0.61 109.881 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.38 -41.51 77.61 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 110.86 -0.896 . . . . 0.47 110.86 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.199 0.599 . . . . 0.86 112.037 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.39 -46.11 91.53 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.52 0.328 . . . . 0.67 111.061 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.26 -16.17 44.12 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.643 0.609 . . . . 0.55 112.643 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.14 -29.24 17.38 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.268 0.627 . . . . 0.96 111.35 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -86.8 -27.53 23.5 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.816 0.447 . . . . 1.65 112.088 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.471 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -58.82 -46.06 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 117.984 0.357 . . . . 0.66 111.753 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -37.38 24.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 119.582 -0.247 . . . . 1.74 111.538 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -152.71 109.87 3.52 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 112.633 0.605 . . . . 1.52 112.633 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -38.19 7.52 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.118 -0.697 . . . . 1.87 109.118 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.7 67.89 1.25 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.262 -1.385 . . . . 1.53 107.262 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -49.05 -34.51 13.63 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.335 1.235 . . . . 1.81 114.335 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.12 -32.91 33.57 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 112.014 0.376 . . . . 1.24 112.014 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -82.87 -60.74 2.07 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.365 0.266 . . . . 1.73 111.401 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -113.99 131.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.279 0.631 . . . . 1.06 109.92 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.75 37.66 1.19 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.323 0.86 . . . . 2.26 113.323 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 70.67 0.24 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.225 0.536 . . . . 1.74 111.196 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 tttp . . . . . 0 N--CA 1.47 0.541 0 CA-C-N 115.577 -0.738 . . . . 1.71 110.126 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.277 0.473 . . . . 1.75 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.3 165.25 13.19 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 111.865 0.321 . . . . 0.78 111.865 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.586 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -101.59 127.74 48.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.531 0.333 . . . . 0.69 111.434 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -129.94 136.85 29.69 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.148 0.579 . . . . 1.1 110.269 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.31 134.75 12.95 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.49 2.127 . . . . 0.83 112.818 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -123.18 -59.24 1.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.843 0.457 . . . . 1.24 111.474 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -120.72 168.18 11.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.453 0.701 . . . . 1.06 109.7 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.1 -47.1 75.43 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.864 0.69 . . . . 1.51 112.864 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.84 -36.23 70.11 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.154 0.427 . . . . 0.65 112.154 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.71 -43.27 72.74 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.816 -0.439 . . . . 0.95 109.816 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.98 -34.88 76.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.513 0.725 . . . . 0.85 111.753 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -59.78 -56.17 25.19 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.846 0.313 . . . . 0.56 111.846 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.464 HD11 HD11 ' A' ' 49' ' ' LEU . 2.7 pp -72.88 -25.65 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 117.701 0.228 . . . . 0.53 111.409 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.586 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 7.9 tm-20 -69.76 -31.34 69.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.406 0.682 . . . . 1.0 111.779 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.25 -26.74 67.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.524 0.33 . . . . 0.88 111.718 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -76.36 -26.55 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 122.88 0.472 . . . . 0.56 110.337 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.7 10.89 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 C-N-CA 123.235 0.614 . . . . 0.97 111.856 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -127.51 -43.48 1.59 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.665 0.617 . . . . 0.67 112.665 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -68.37 -48.49 64.61 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.522 0.564 . . . . 0.69 112.522 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -93.48 -8.83 40.44 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.164 0.801 . . . . 1.02 113.164 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -22.26 61.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.326 0.491 . . . . 3.08 112.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -69.86 -34.18 73.25 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.456 0.302 . . . . 1.37 110.99 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.75 -29.5 14.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.076 0.55 . . . . 1.54 112.172 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -19.32 58.26 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 113.41 0.893 . . . . 0.85 113.41 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -84.14 0.37 48.84 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.112 0.782 . . . . 1.73 113.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.33 -31.72 48.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.118 0.414 . . . . 1.68 112.118 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -132.78 141.98 48.77 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.989 0.366 . . . . 1.45 111.989 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.34 81.64 0.07 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 119.57 -0.572 . . . . 0.86 114.096 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? 59.46 171.55 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.59 0.756 . . . . 2.62 112.236 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -90.65 -42.0 11.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.679 0.391 . . . . 1.11 111.356 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.98 -23.49 48.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.373 0.509 . . . . 1.36 112.373 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.3 t -90.79 147.77 22.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.067 0.766 . . . . 1.13 113.067 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.0 158.87 15.25 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 115.438 -0.801 . . . . 0.79 109.946 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -86.69 154.06 21.26 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 120.562 0.22 . . . . 0.69 111.416 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.86 -20.7 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 112.898 0.703 . . . . 0.71 112.898 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -99.47 -36.99 9.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.761 0.424 . . . . 0.83 111.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.27 -38.67 88.36 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.83 0.678 . . . . 1.61 112.83 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.94 89.18 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.041 0.382 . . . . 0.66 110.979 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.02 -36.77 84.66 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.244 0.34 . . . . 0.81 111.181 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.75 -31.44 68.26 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.407 0.283 . . . . 0.69 110.9 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.55 -36.2 76.12 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.558 0.343 . . . . 0.68 111.184 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.74 -28.98 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.682 0.393 . . . . 0.48 111.579 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -92.46 -8.76 43.75 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.818 0.673 . . . . 0.83 112.818 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -123.41 -58.98 1.58 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.929 0.714 . . . . 0.98 112.929 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -96.44 -8.67 31.65 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.935 1.087 . . . . 0.73 113.935 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -143.24 49.58 1.2 Allowed Pre-proline 0 CA--C 1.559 1.324 0 CA-C-N 118.462 0.574 . . . . 0.62 111.962 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.9 -25.92 1.35 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.248 1.965 . . . . 0.48 114.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -80.58 -19.28 45.94 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.854 0.687 . . . . 0.81 112.854 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.43 -59.63 2.7 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.012 0.369 . . . . 0.88 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.43 114.14 22.95 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.883 -0.784 . . . . 0.7 108.883 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -51.55 -39.12 57.16 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.981 0.734 . . . . 1.23 112.981 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -93.29 110.33 21.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.356 0.262 . . . . 1.94 110.331 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -94.98 -31.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.491 0.317 . . . . 0.6 111.617 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 -49.49 3.29 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-O 119.904 -0.387 . . . . 0.67 112.828 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -82.21 90.09 6.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.022 0.439 . . . . 0.92 110.2 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.87 15.92 13.45 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.613 -0.722 . . . . 1.24 111.271 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.37 -31.92 60.66 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.203 0.446 . . . . 0.73 112.203 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.51 -38.73 90.57 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.208 0.203 . . . . 1.1 110.888 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -44.54 16.34 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.549 0.339 . . . . 1.47 110.596 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.2 ttp -55.44 -43.44 75.41 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.174 0.589 . . . . 0.81 112.152 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -64.21 -38.6 91.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.294 0.237 . . . . 2.39 110.584 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -72.32 -31.12 65.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.421 -0.354 . . . . 0.63 111.267 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' B' ' 79' ' ' LEU . 88.0 mt -68.7 -63.21 1.1 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 122.463 0.305 . . . . 0.69 110.951 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.37 77.89 9.1 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 121.403 0.62 . . . . 1.32 109.676 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.88 -32.24 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.138 -0.937 . . . . 0.72 111.941 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -70.49 -21.4 62.77 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.197 0.443 . . . . 1.38 112.197 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 62.4 59.42 1.55 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.29 0.636 . . . . 2.02 111.39 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.59 17.94 3.33 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.985 -0.552 . . . . 1.3 111.851 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m 56.97 31.25 19.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.176 0.59 . . . . 1.35 112.332 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -138.98 126.0 21.16 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.97 0.508 . . . . 2.4 110.438 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.73 68.96 0.86 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 123.384 0.427 . . . . 1.13 110.38 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 32' ' ' SER . 38.5 tttm -64.0 161.36 16.03 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.814 -0.613 . . . . 1.81 110.102 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.58 -28.92 34.83 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 118.881 0.764 . . . . 1.23 112.149 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.18 -34.23 70.73 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 122.385 0.274 . . . . 0.99 110.432 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.64 -31.33 17.58 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 0.93 110.34 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.664 ' HA ' HD22 ' B' ' 63' ' ' LEU . 25.1 t80 -79.98 -8.27 59.26 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.098 0.959 . . . . 0.71 111.171 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.17 57.03 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.912 0.885 . . . . 1.54 112.228 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.629 ' HB2' HD23 ' B' ' 63' ' ' LEU . 9.4 mmm-85 -73.45 -27.58 61.5 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 111.843 0.312 . . . . 2.15 111.843 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.786 ' HB2' HD21 ' B' ' 63' ' ' LEU . 12.1 tp -89.19 -32.4 17.47 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.567 0.347 . . . . 0.49 111.478 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mm -63.47 -37.4 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.692 -0.484 . . . . 0.56 109.692 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.0 92.42 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 111.823 -0.511 . . . . 0.42 111.823 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -77.42 -25.99 51.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.988 0.515 . . . . 0.91 110.958 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -48.12 81.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.822 0.449 . . . . 0.69 110.792 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.448 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -74.64 -32.91 62.43 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.218 0.451 . . . . 0.55 112.218 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.08 -28.36 62.25 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 122.632 0.373 . . . . 1.1 111.803 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 5.31 33.81 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.332 0.864 . . . . 1.68 113.332 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -36.76 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.582 0.628 . . . . 0.63 110.837 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -107.52 -29.98 8.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 113.458 0.911 . . . . 1.64 113.458 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -139.34 61.39 1.56 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 113.478 0.918 . . . . 1.65 113.478 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -35.41 55.34 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 109.774 -0.454 . . . . 2.03 109.774 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -137.51 70.14 1.4 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.214 -1.032 . . . . 1.36 108.214 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.614 0.968 . . . . 1.72 113.614 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.07 -44.9 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 111.771 0.286 . . . . 1.27 111.771 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -74.43 -48.85 25.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.912 0.485 . . . . 1.61 111.508 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 46.0 pt -127.83 145.41 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.228 0.611 . . . . 1.04 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -141.84 27.81 1.8 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.701 0.63 . . . . 2.42 112.701 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.75 101.33 0.57 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.181 -0.325 . . . . 1.86 111.759 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.087 -0.959 . . . . 1.85 109.976 178.735 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 120.703 0.287 . . . . 2.71 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.3 150.87 39.82 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 122.689 0.396 . . . . 1.02 111.048 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.19 107.05 15.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.473 -0.331 . . . . 0.7 110.247 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -106.18 129.73 24.09 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-O 119.078 -0.487 . . . . 1.02 110.218 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.67 126.03 21.1 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.785 2.323 . . . . 0.74 114.232 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.0 mt -125.16 -164.22 1.27 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.799 0.84 . . . . 1.19 109.551 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -55.67 159.65 2.89 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.486 0.584 . . . . 0.98 111.442 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -37.58 -57.98 0.91 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.883 1.438 . . . . 1.42 114.883 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.15 -31.08 67.27 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.188 0.449 . . . . 0.65 112.176 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.02 -29.8 63.29 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.878 -0.415 . . . . 1.03 109.878 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.23 -16.95 53.63 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.204 0.602 . . . . 0.81 111.763 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -57.53 -46.96 83.23 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.562 0.345 . . . . 0.63 111.44 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -87.49 -12.4 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 111.854 0.316 . . . . 0.56 111.854 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -75.33 -42.47 54.32 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.661 . . . . 1.0 111.33 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 m -64.05 -26.36 68.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.678 0.391 . . . . 0.77 111.807 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.1 t -73.62 -27.84 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 122.824 0.45 . . . . 0.5 110.566 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . 33.3 t -90.46 11.93 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 C-N-CA 123.164 0.586 . . . . 0.95 111.438 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 p -124.06 -46.84 1.93 Allowed 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.844 -0.535 . . . . 0.62 111.869 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -62.81 -44.65 95.6 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.567 0.951 . . . . 0.66 113.567 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -103.16 -24.96 13.54 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.881 1.067 . . . . 0.95 113.881 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.8 -22.53 66.69 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 112.869 0.692 . . . . 3.17 112.869 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 m -69.49 -29.41 67.05 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 117.886 0.312 . . . . 1.37 110.949 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -93.42 -36.5 12.45 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.122 0.569 . . . . 1.55 111.205 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 33' ' ' LEU . . . -75.29 -25.0 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.524 0.935 . . . . 0.83 113.524 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -60.87 -25.01 66.38 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.274 0.842 . . . . 1.55 113.274 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.18 -15.7 62.49 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.338 0.866 . . . . 1.8 113.338 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -122.69 105.53 10.15 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 112.956 0.725 . . . . 1.59 112.956 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 98.59 0.01 OUTLIER Glycine 0 C--N 1.352 1.432 0 N-CA-C 115.557 0.983 . . . . 0.92 115.557 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 56.77 168.82 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.089 0.956 . . . . 2.6 113.346 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -95.47 -8.82 34.29 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.415 0.894 . . . . 1.22 113.415 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.84 -31.08 11.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.374 0.879 . . . . 1.43 113.374 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.9 p -92.17 158.5 16.14 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.227 0.825 . . . . 1.09 113.227 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 6.5 mp -97.0 167.52 11.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.627 0.771 . . . . 0.76 110.512 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 t -86.4 154.87 20.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.326 0.25 . . . . 0.68 111.098 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.26 -27.36 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.59 0.589 . . . . 0.64 112.59 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -101.53 -40.0 7.25 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.112 0.782 . . . . 0.82 113.112 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.19 -26.68 64.01 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.07 0.767 . . . . 1.54 113.07 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.29 86.44 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.376 0.535 . . . . 0.65 110.691 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.17 -34.83 78.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.789 0.436 . . . . 0.87 111.059 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.53 -35.43 80.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.268 0.355 . . . . 0.73 110.399 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.44 -39.68 85.41 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.67 0.388 . . . . 0.65 111.196 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.42 -27.59 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.651 0.38 . . . . 0.45 111.249 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.37 26.5 9.78 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 122.525 0.33 . . . . 0.8 111.886 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -145.69 -62.43 0.33 Allowed 'General case' 0 C--N 1.358 0.962 0 O-C-N 122.071 -0.393 . . . . 1.1 111.883 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -103.06 -12.79 17.16 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.712 0.634 . . . . 0.84 112.712 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 4.3 tp -130.52 39.41 0.51 Allowed Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 112.397 0.517 . . . . 0.67 112.397 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 93.6 Cg_endo -80.4 -28.2 3.05 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.13 1.886 . . . . 0.52 114.502 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -79.23 -9.85 59.67 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.79 0.663 . . . . 0.85 112.79 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HG ' ' A' ' 83' ' ' LEU . 18.6 tp -87.47 -64.42 1.15 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.231 0.469 . . . . 0.87 110.985 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.74 108.8 16.37 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.904 -0.776 . . . . 0.73 108.904 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.12 -38.18 24.18 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.548 0.944 . . . . 1.32 113.548 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -104.43 99.18 8.87 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.817 -0.438 . . . . 2.08 109.817 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.9 m -96.24 -31.65 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.705 0.402 . . . . 0.71 111.623 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.33 -54.31 9.1 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 120.054 -0.303 . . . . 0.83 113.251 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.2 t -90.51 76.63 6.58 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.035 0.445 . . . . 0.85 110.323 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 49.97 0.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.85 -0.796 . . . . 1.22 108.85 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.1 -35.6 7.19 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.83 -0.623 . . . . 0.77 111.111 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.64 -30.47 71.49 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.282 0.233 . . . . 1.09 110.473 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -89.1 -35.3 16.37 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 123.082 0.553 . . . . 1.55 111.175 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.74 -38.87 76.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 111.967 0.358 . . . . 0.84 111.967 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.9 -34.16 77.18 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.173 0.189 . . . . 2.56 110.816 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 m -68.42 -35.99 78.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.619 0.368 . . . . 0.61 110.881 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 79' ' ' LEU . 33.1 mt -70.82 -59.35 2.85 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 122.278 0.231 . . . . 0.68 110.46 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.58 85.14 6.03 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 120.899 0.381 . . . . 1.39 110.148 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.7 p -102.05 -22.86 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.742 -0.663 . . . . 0.73 111.979 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.05 -17.98 48.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.28 0.474 . . . . 1.44 112.28 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.23 86.16 0.13 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.499 0.72 . . . . 1.96 111.176 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -158.58 -78.07 0.07 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.825 0.45 . . . . 1.41 110.657 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.1 t 173.58 -43.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.155 0.982 . . . . 1.31 110.842 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.2 153.25 40.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.312 0.645 . . . . 2.42 112.536 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.64 84.92 2.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.79 -0.641 . . . . 0.95 110.144 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.72 164.05 5.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.229 0.612 . . . . 1.89 109.786 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -29.4 70.72 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.087 0.858 . . . . 1.2 111.826 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.36 -29.21 64.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.373 -0.602 . . . . 0.98 109.373 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.67 -46.03 14.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.494 0.717 . . . . 1.03 109.393 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HA ' HD22 ' A' ' 63' ' ' LEU . 12.4 t80 -69.34 -15.97 63.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.953 0.901 . . . . 0.69 111.67 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -50.75 -31.79 17.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.845 0.858 . . . . 1.62 111.761 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.625 ' HB2' HD23 ' A' ' 63' ' ' LEU . 1.4 mmt-85 -61.72 -38.79 89.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.535 0.334 . . . . 1.96 111.558 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.689 ' HB2' HD21 ' A' ' 63' ' ' LEU . 10.0 tp -84.11 -35.44 23.69 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 119.212 -0.423 . . . . 0.53 111.132 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -53.28 -38.14 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 117.923 0.329 . . . . 0.61 110.351 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.69 86.4 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.028 -0.829 . . . . 0.47 111.028 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.26 -28.69 70.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.532 0.333 . . . . 0.86 111.317 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' HG ' HD23 ' A' ' 49' ' ' LEU . 7.5 mp -66.6 -52.23 47.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 117.857 0.299 . . . . 0.67 110.357 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.09 -12.82 60.01 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 112.974 0.731 . . . . 0.55 112.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.28 -39.31 11.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.029 0.532 . . . . 0.96 110.504 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.25 30.4 2.51 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.164 0.586 . . . . 1.65 111.784 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -45.05 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.65 0.38 . . . . 0.66 110.43 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 -36.53 8.75 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.125 0.417 . . . . 1.74 112.125 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -127.96 58.49 1.51 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.475 0.546 . . . . 1.52 112.475 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.53 78.92 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 122.24 -0.287 . . . . 1.87 110.802 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -134.72 73.48 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.191 -1.04 . . . . 1.53 108.191 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.28 -34.84 72.75 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.568 0.951 . . . . 1.81 113.568 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp -73.9 -39.16 64.06 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.025 0.38 . . . . 1.24 112.025 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -79.09 -56.17 4.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.54 0.336 . . . . 1.73 111.637 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.13 148.86 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 122.81 0.444 . . . . 1.06 111.448 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -140.46 42.97 1.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.539 0.335 . . . . 2.26 111.736 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -168.41 121.19 0.84 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.068 0.396 . . . . 1.74 112.068 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 1.71 110.684 179.135 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.847 0.314 . . . . 1.75 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.13 24.01 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 122.8 0.44 . . . . 0.78 111.359 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.02 136.91 36.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.412 0.285 . . . . 0.69 111.428 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -138.76 146.18 49.19 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 122.871 0.468 . . . . 1.1 110.976 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -80.73 141.57 13.71 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.76 2.307 . . . . 0.83 112.811 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -139.02 -61.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 111.928 0.344 . . . . 1.24 111.928 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.06 169.08 10.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.256 0.622 . . . . 1.06 110.548 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.54 -41.33 89.82 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.945 0.498 . . . . 1.51 112.116 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.32 -37.21 45.15 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.362 0.265 . . . . 0.65 111.637 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.94 -34.43 71.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.581 0.352 . . . . 0.95 111.19 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.44 -35.57 70.96 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 122.471 0.308 . . . . 0.85 110.83 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -56.56 -48.38 77.45 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.734 0.414 . . . . 0.56 111.838 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.08 -26.36 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 122.393 0.277 . . . . 0.53 111.585 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -32.33 60.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.198 0.599 . . . . 1.0 111.952 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -61.0 -31.63 71.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.841 0.456 . . . . 0.88 112.105 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.37 -32.42 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.363 0.265 . . . . 0.56 111.08 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 t -84.07 -53.06 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.618 0.367 . . . . 0.97 111.436 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.4 p -59.21 -46.4 88.54 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.272 1.212 . . . . 0.67 114.272 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -65.36 -48.44 72.95 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.833 0.679 . . . . 0.69 112.833 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -92.53 18.61 8.34 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 113.031 0.752 . . . . 1.02 113.031 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -75.27 -26.93 59.18 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.646 0.657 . . . . 3.08 110.926 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -60.67 -43.21 97.94 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.82 0.448 . . . . 1.37 110.933 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -80.38 -39.75 27.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.333 0.253 . . . . 1.54 110.778 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.95 -29.99 69.97 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.455 0.909 . . . . 0.85 113.455 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -88.72 9.31 24.81 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.173 0.805 . . . . 1.73 113.173 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -75.07 -37.76 61.52 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 117.969 0.349 . . . . 1.68 110.945 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.74 -175.81 2.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.267 0.627 . . . . 1.45 110.564 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.19 163.42 2.35 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.744 0.658 . . . . 0.86 114.744 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? 64.53 139.46 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.128 0.971 . . . . 2.62 111.02 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -76.94 -64.85 1.03 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 122.389 -0.194 . . . . 1.11 111.326 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -89.52 71.64 7.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.444 -0.576 . . . . 1.36 109.444 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -156.18 141.59 17.61 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.07 -0.514 . . . . 1.13 112.269 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.92 141.76 32.3 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.193 0.597 . . . . 0.79 109.476 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.4 t -81.1 161.4 24.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.051 0.141 . . . . 0.69 111.077 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.07 -31.69 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 112.808 0.67 . . . . 0.71 112.808 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -104.6 25.73 9.93 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 111.893 0.331 . . . . 0.83 111.893 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -121.33 -45.37 2.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.942 0.497 . . . . 1.61 111.456 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -65.25 -33.38 75.85 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.624 0.193 . . . . 0.66 110.764 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -71.02 -41.67 70.54 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.371 0.419 . . . . 0.81 110.251 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -69.71 -30.0 67.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.382 0.273 . . . . 0.69 111.449 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.3 -36.0 78.67 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 110.361 -0.237 . . . . 0.68 110.361 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.0 t -74.02 -23.56 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.041 0.536 . . . . 0.48 110.89 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -98.66 -14.36 19.88 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 112.858 0.688 . . . . 0.83 112.858 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -111.3 -60.51 1.83 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.265 0.839 . . . . 0.98 113.265 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -107.57 2.24 23.88 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 114.166 1.173 . . . . 0.73 114.166 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.415 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 0.4 OUTLIER -145.34 47.75 0.71 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-N 118.697 0.68 . . . . 0.62 112.317 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 60.3 Cg_endo -88.65 -23.93 0.92 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.424 2.083 . . . . 0.48 115.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.88 -28.18 28.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.219 0.452 . . . . 0.81 112.219 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.74 -52.98 20.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.775 0.287 . . . . 0.88 111.775 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.68 115.87 29.66 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.527 -0.545 . . . . 0.7 109.527 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.148 0.796 . . . . 1.23 113.148 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -85.07 82.22 8.53 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.762 0.255 . . . . 1.94 110.35 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.9 -35.32 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 116.487 -0.324 . . . . 0.6 111.453 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.72 -38.04 5.93 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-O 119.801 -0.444 . . . . 0.67 113.197 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -91.65 74.1 5.86 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.172 0.486 . . . . 0.92 110.896 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 3.28 34.45 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.831 -0.622 . . . . 1.24 111.557 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.42 -27.24 67.68 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.67 0.619 . . . . 0.73 112.67 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -66.1 -47.92 72.6 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.439 0.296 . . . . 1.1 111.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -75.12 -34.35 61.68 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 119.425 -0.321 . . . . 1.47 110.665 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.4 ttp -50.94 -42.18 59.55 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.272 0.629 . . . . 0.81 112.432 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -69.62 -41.77 75.22 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.733 0.413 . . . . 2.39 110.916 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -71.43 -30.67 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.971 0.508 . . . . 0.63 111.809 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' B' ' 78' ' ' ARG . 41.2 mt -70.16 -62.21 1.48 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.134 0.573 . . . . 0.69 110.779 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.93 77.09 6.99 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.269 0.557 . . . . 1.32 110.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 p -75.61 -29.9 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 115.377 -0.829 . . . . 0.72 111.488 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.01 -33.96 72.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.061 0.544 . . . . 1.38 111.902 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 66.07 68.53 0.45 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.291 0.636 . . . . 2.02 110.304 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.11 -63.9 1.35 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.963 -0.562 . . . . 1.3 110.8 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t 177.78 -49.75 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.488 0.715 . . . . 1.35 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.81 163.15 16.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.265 0.626 . . . . 2.4 111.205 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -96.33 99.03 10.75 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 1.13 110.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.54 166.3 19.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.92 -1.141 . . . . 1.81 107.92 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -20.96 62.49 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.02 0.827 . . . . 1.23 112.316 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.63 -29.81 61.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.408 -0.59 . . . . 0.99 109.408 175.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.27 -41.27 14.74 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 123.332 0.653 . . . . 0.93 109.781 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.41 ' HA ' HD22 ' B' ' 63' ' ' LEU . 20.1 t80 -67.58 -17.95 64.82 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.615 0.766 . . . . 0.71 110.563 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -37.98 -43.41 0.71 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 126.217 1.807 . . . . 1.54 113.982 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' B' ' 63' ' ' LEU . 18.8 mmm180 -68.69 -32.78 72.84 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.198 0.814 . . . . 2.15 113.198 -178.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.497 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.8 tp -73.77 -28.72 61.81 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.227 0.467 . . . . 0.49 111.352 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 mm -68.51 -38.82 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 109.607 -0.516 . . . . 0.56 109.607 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.26 -38.89 88.06 Favored Glycine 0 C--N 1.358 1.804 0 N-CA-C 111.948 -0.461 . . . . 0.42 111.948 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.32 -25.18 54.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.681 0.393 . . . . 0.91 110.233 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -48.69 80.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.189 0.596 . . . . 0.69 110.964 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.36 -25.68 57.92 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.74 0.645 . . . . 0.55 112.74 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -75.98 -35.76 59.49 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.799 0.296 . . . . 1.1 111.799 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -79.79 -12.86 59.75 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.993 0.738 . . . . 1.68 112.993 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.443 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.3 OUTLIER -67.33 -42.59 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.686 0.675 . . . . 0.63 111.503 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -98.96 -43.39 6.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.501 0.321 . . . . 1.64 111.405 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -125.27 81.94 2.01 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 112.79 0.663 . . . . 1.65 112.79 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -84.84 -33.19 22.92 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 109.308 -0.627 . . . . 2.03 109.308 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -140.69 75.12 1.49 Allowed 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.68 0.792 . . . . 1.36 108.907 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -76.44 70.21 2.99 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.407 0.622 . . . . 1.72 110.816 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -171.3 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.239 -0.891 . . . . 1.27 109.93 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -93.43 -44.83 8.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.214 0.606 . . . . 1.61 110.265 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 10.9 pt -130.59 116.49 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.102 0.561 . . . . 1.04 111.296 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -140.3 50.4 1.7 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.939 0.399 . . . . 2.42 111.554 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -161.77 41.14 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 111.828 0.307 . . . . 1.86 111.828 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.01 -0.995 . . . . 1.85 110.757 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.458 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 113.116 0.784 . . . . 2.71 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.9 136.9 48.45 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.896 0.478 . . . . 1.02 110.435 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 116.46 22.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.527 0.203 . . . . 0.7 111.435 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.05 140.76 21.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 122.903 0.481 . . . . 1.02 110.711 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -62.95 138.2 66.76 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.532 2.155 . . . . 0.74 113.073 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -136.7 -122.87 0.15 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 118.796 -0.621 . . . . 1.19 110.182 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m -72.16 163.59 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 119.425 1.011 . . . . 0.98 110.651 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.67 -40.4 39.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 112.941 0.719 . . . . 1.42 112.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.59 -42.22 43.32 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.788 0.267 . . . . 0.65 110.982 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.25 -31.73 72.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.136 0.174 . . . . 1.03 110.755 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.32 -28.78 62.27 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.218 0.607 . . . . 0.81 111.36 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -57.82 -60.59 3.47 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 122.329 0.252 . . . . 0.63 110.858 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.9 pp -66.7 -27.88 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.684 0.253 . . . . 0.56 111.684 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.476 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.2 tm-20 -63.73 -40.86 97.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 1.0 111.862 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 m -64.41 -33.05 74.97 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.532 0.333 . . . . 0.77 111.127 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.7 t -70.3 -32.42 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.721 0.408 . . . . 0.5 110.995 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.85 -57.23 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.048 0.539 . . . . 0.95 111.851 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -62.5 -29.71 70.74 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.418 1.266 . . . . 0.62 114.418 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -75.56 -33.6 60.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.67 0.989 . . . . 0.66 113.67 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -107.61 -27.55 10.28 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.312 1.227 . . . . 0.95 114.312 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.71 -20.17 66.18 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.8 0.727 . . . . 3.17 112.39 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.0 m -70.37 -31.33 68.53 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.409 0.284 . . . . 1.37 111.339 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.99 -28.71 13.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.737 0.415 . . . . 1.55 112.068 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.68 -23.36 49.61 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.626 0.972 . . . . 0.83 113.626 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -64.27 -24.38 67.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.085 1.142 . . . . 1.55 114.085 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -72.61 -25.18 61.22 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.369 0.877 . . . . 1.8 113.369 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -77.07 -41.66 41.41 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.077 0.769 . . . . 1.59 113.077 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.91 122.69 0.69 Allowed Glycine 0 C--N 1.349 1.261 0 C-N-CA 120.882 -0.675 . . . . 0.92 113.227 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? 62.96 141.74 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.798 0.839 . . . . 2.6 111.091 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.81 -38.96 57.65 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.027 0.751 . . . . 1.22 113.027 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.67 27.88 3.68 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.155 0.428 . . . . 1.43 112.155 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -135.03 145.7 48.29 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.899 0.479 . . . . 1.09 110.794 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mp -99.15 162.46 13.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 0.76 110.646 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 t -87.43 165.93 15.19 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.718 0.407 . . . . 0.68 111.612 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -89.51 -25.68 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 122.883 0.473 . . . . 0.64 112.003 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -97.52 -38.81 9.43 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.851 0.315 . . . . 0.82 111.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.12 -35.48 74.13 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.446 0.536 . . . . 1.54 112.446 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -27.92 67.79 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.987 0.358 . . . . 0.65 111.124 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.07 -36.93 80.63 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 122.63 0.372 . . . . 0.87 110.099 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.03 -33.59 72.18 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.792 0.437 . . . . 0.73 110.455 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.06 -38.41 86.11 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.255 0.622 . . . . 0.65 111.414 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' HA ' ' HB3' ' A' ' 46' ' ' LEU . 51.1 t -81.64 -24.27 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 122.696 0.398 . . . . 0.45 111.399 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.4 m -90.89 -3.38 57.39 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.662 0.616 . . . . 0.8 112.662 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -131.75 -56.14 1.0 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 112.805 0.669 . . . . 1.1 112.805 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -99.81 2.53 44.08 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.543 0.942 . . . . 0.84 113.543 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 42' ' ' VAL . 4.5 tp -146.67 47.56 0.61 Allowed Pre-proline 0 CA--C 1.563 1.445 0 CA-C-N 118.254 0.479 . . . . 0.67 111.327 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 89.5 Cg_endo -82.5 -43.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.315 2.01 . . . . 0.52 114.326 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -63.2 -34.45 77.67 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.919 0.34 . . . . 0.85 111.919 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.39 -55.44 13.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.582 0.353 . . . . 0.87 110.453 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -113.58 81.85 1.58 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.702 -0.851 . . . . 0.73 108.702 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -57.49 -33.53 68.1 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.804 1.039 . . . . 1.32 113.804 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.25 78.4 6.92 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.054 0.454 . . . . 2.08 110.095 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.14 -32.48 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.897 -0.592 . . . . 0.71 112.292 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.69 59.22 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 119.693 -0.504 . . . . 0.83 113.516 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -90.95 53.2 2.32 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.248 0.524 . . . . 0.85 111.287 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -17.76 33.19 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.513 -0.312 . . . . 1.22 110.458 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -60.31 -31.53 70.36 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.626 0.371 . . . . 0.77 111.154 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.42 -36.86 74.26 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.851 0.46 . . . . 1.09 110.633 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.1 -39.28 13.73 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.897 0.479 . . . . 1.55 110.5 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 ttp -57.08 -33.98 67.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.173 0.589 . . . . 0.84 112.131 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.91 -37.21 85.49 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.349 0.26 . . . . 2.56 110.591 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.9 m -74.96 -31.13 61.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.859 0.464 . . . . 0.61 111.044 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 79' ' ' LEU . 60.8 mt -76.11 -59.38 2.78 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 122.351 0.261 . . . . 0.68 110.593 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -80.97 73.41 8.0 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.078 0.466 . . . . 1.39 110.299 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -96.82 -34.0 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.881 -0.599 . . . . 0.73 111.531 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -73.55 -27.89 61.58 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.553 0.341 . . . . 1.44 111.106 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 67.46 78.44 0.24 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.216 1.006 . . . . 1.96 111.836 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -143.33 8.45 1.59 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.885 -0.598 . . . . 1.41 112.157 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 61.09 18.33 8.91 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.294 0.638 . . . . 1.31 112.516 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -139.28 112.96 8.44 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.316 -0.624 . . . . 2.42 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.8 83.69 7.08 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.079 0.237 . . . . 0.95 111.624 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -60.97 164.86 4.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.056 -0.72 . . . . 1.89 109.056 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' B' ' 84' ' ' ALA . 12.3 t80 -63.69 -24.75 67.9 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.126 0.876 . . . . 1.2 112.273 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.6 -29.08 63.19 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.489 -0.56 . . . . 0.98 109.489 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.63 -40.69 15.93 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.547 -0.538 . . . . 1.03 109.547 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -71.66 -16.31 62.25 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.342 0.657 . . . . 0.69 111.267 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -53.53 -32.29 49.9 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.529 1.132 . . . . 1.62 112.666 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.547 ' HB2' HD23 ' A' ' 63' ' ' LEU . 53.4 mmm-85 -69.02 -26.03 64.79 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.584 0.587 . . . . 1.96 112.584 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 63' ' ' LEU . 12.8 tp -84.46 -32.57 23.96 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.109 0.413 . . . . 0.53 111.359 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.96 -35.56 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 117.801 0.273 . . . . 0.61 110.409 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.72 -38.03 89.42 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 111.5 -0.64 . . . . 0.47 111.5 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.36 -32.94 69.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.854 0.461 . . . . 0.86 110.619 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.4 -50.76 72.53 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.026 0.53 . . . . 0.67 111.36 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.56 -16.69 47.59 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.224 0.824 . . . . 0.55 113.224 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -82.36 -35.82 27.43 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.182 0.446 . . . . 0.96 110.865 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -80.38 -21.96 41.8 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.583 0.586 . . . . 1.65 112.583 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.433 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -62.87 -41.19 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-N 118.333 0.515 . . . . 0.66 111.486 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -47.05 12.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.23 0.212 . . . . 1.74 111.378 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -147.98 102.16 3.36 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.915 0.388 . . . . 1.52 111.812 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -38.36 13.06 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.032 -0.531 . . . . 1.87 109.72 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -117.39 81.49 1.66 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.085 -1.08 . . . . 1.53 108.085 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.32 63.3 1.39 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.307 0.484 . . . . 1.81 112.307 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.9 tp -176.43 -49.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.756 0.822 . . . . 1.24 110.805 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -81.22 -54.67 5.31 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.069 0.547 . . . . 1.73 111.734 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.06 127.72 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.686 0.394 . . . . 1.06 110.857 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -138.45 49.85 1.89 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.791 0.293 . . . . 2.26 111.791 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -170.63 101.43 0.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.566 0.347 . . . . 1.74 110.549 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.345 0.396 0 CA-C-O 121.018 0.437 . . . . 1.71 110.725 -179.35 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 120.181 0.039 . . . . 1.75 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 146.38 24.9 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.57 0.348 . . . . 0.78 110.882 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.78 111.69 23.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.485 0.314 . . . . 0.69 111.165 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -111.22 137.0 20.87 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 122.94 0.496 . . . . 1.1 110.671 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.11 145.48 11.05 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.429 2.086 . . . . 0.83 113.19 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.0 -65.16 0.49 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.64 0.376 . . . . 1.24 111.09 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 m -101.02 160.87 14.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.116 0.567 . . . . 1.06 110.043 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -55.79 -40.0 72.07 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.301 0.482 . . . . 1.51 112.301 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt -75.69 -39.08 58.06 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.684 0.394 . . . . 0.65 111.478 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.49 -36.15 78.53 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.127 -0.323 . . . . 0.95 110.127 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.142 0.577 . . . . 0.85 110.981 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -61.19 -53.83 51.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.35 0.26 . . . . 0.56 111.209 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.86 -18.56 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 112.186 0.439 . . . . 0.53 112.186 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -83.77 -38.51 21.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.299 0.64 . . . . 1.0 111.196 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -62.19 -31.83 72.39 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.558 0.343 . . . . 0.88 111.667 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.07 -32.12 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 110.355 -0.239 . . . . 0.56 110.355 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.45 -51.55 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.013 0.525 . . . . 0.97 110.894 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.7 p -60.47 -23.4 64.44 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.35 1.241 . . . . 0.67 114.35 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -85.02 -44.68 12.84 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.62 0.645 . . . . 0.69 112.132 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -98.32 3.14 48.66 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.444 1.275 . . . . 1.02 114.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -67.94 -33.27 74.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 119.546 1.067 . . . . 3.08 110.628 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -62.13 -38.41 88.86 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.855 0.462 . . . . 1.37 111.203 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -86.03 -32.7 21.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.818 0.447 . . . . 1.54 111.69 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.07 -26.83 63.23 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.608 0.966 . . . . 0.85 113.608 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -78.76 -1.95 37.12 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.857 1.058 . . . . 1.73 113.857 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.38 -36.34 79.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 118.296 0.498 . . . . 1.68 112.222 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -102.87 -175.94 2.95 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.661 0.384 . . . . 1.45 110.735 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.7 145.73 8.1 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 114.919 0.727 . . . . 0.86 114.919 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? 63.5 128.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.409 1.084 . . . . 2.62 111.475 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.43 -33.16 69.16 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.011 0.374 . . . . 1.11 112.011 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -98.38 33.69 2.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.571 0.349 . . . . 1.36 111.337 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -134.29 146.18 49.78 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 122.489 0.316 . . . . 1.13 111.441 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.93 151.83 21.28 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.051 -0.522 . . . . 0.79 110.346 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.0 t -80.45 148.97 30.28 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.677 -0.49 . . . . 0.69 109.677 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.27 -14.92 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 112.431 0.53 . . . . 0.71 112.431 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -102.48 -35.39 8.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.771 0.428 . . . . 0.83 111.538 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.65 -35.47 70.37 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 112.904 0.705 . . . . 1.61 112.904 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.82 -35.12 79.79 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.934 0.334 . . . . 0.66 110.474 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -67.67 -37.37 82.25 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.779 0.431 . . . . 0.81 110.574 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.59 -36.35 78.59 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.615 0.366 . . . . 0.69 110.923 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.35 -35.32 80.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.512 0.325 . . . . 0.68 110.54 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.32 -29.21 30.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.11 0.564 . . . . 0.48 111.092 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -101.49 13.61 34.46 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.181 0.437 . . . . 0.83 112.181 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -135.73 -46.1 0.67 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.212 0.449 . . . . 0.98 112.212 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -117.16 -14.46 10.52 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.426 0.898 . . . . 0.73 113.426 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.49 38.92 0.46 Allowed Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 112.789 0.663 . . . . 0.62 112.789 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -75.76 -36.87 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.192 1.928 . . . . 0.48 114.51 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.86 -24.39 62.5 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.446 0.535 . . . . 0.81 112.446 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.15 -60.16 2.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.45 0.3 . . . . 0.88 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.0 mt -92.27 108.52 20.02 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.188 -0.671 . . . . 0.7 109.188 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -52.22 -37.14 54.14 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.696 0.628 . . . . 1.23 112.696 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -99.24 82.43 2.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 122.355 0.262 . . . . 1.94 111.392 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.16 -32.4 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 111.803 0.298 . . . . 0.6 111.803 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.34 -43.37 8.02 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 119.807 -0.44 . . . . 0.67 112.429 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -87.06 78.2 8.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.103 0.477 . . . . 0.92 110.014 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.26 9.16 19.95 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.245 -0.889 . . . . 1.24 110.533 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.71 -34.9 65.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.961 0.356 . . . . 0.73 111.961 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.31 -35.53 77.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.248 0.219 . . . . 1.1 110.98 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.22 -29.58 19.16 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.102 0.561 . . . . 1.47 111.502 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 45.1 ttp -64.68 -41.5 96.01 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.631 0.604 . . . . 0.81 112.631 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.82 -42.13 77.64 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.998 0.363 . . . . 2.39 110.446 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -66.33 -38.56 87.94 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.467 0.307 . . . . 0.63 110.402 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.68 -41.81 95.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.456 0.703 . . . . 0.69 110.758 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -106.72 64.47 0.65 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.105 0.562 . . . . 1.32 110.359 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.22 -26.17 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 116.244 -0.434 . . . . 0.72 111.108 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.56 -28.57 66.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.051 0.54 . . . . 1.38 111.526 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 64.53 73.54 0.42 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.379 1.072 . . . . 2.02 112.558 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -152.14 15.82 0.63 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.237 0.458 . . . . 1.3 112.237 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t 57.2 29.22 16.31 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.762 0.825 . . . . 1.35 112.882 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -138.02 123.23 19.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.627 0.371 . . . . 2.4 110.088 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.55 76.47 1.83 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.53 0.332 . . . . 1.13 111.044 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -65.6 154.69 38.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.393 -0.966 . . . . 1.81 108.393 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -27.44 43.24 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 118.845 0.748 . . . . 1.23 112.959 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.42 -39.19 81.67 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 110.07 -0.344 . . . . 0.99 110.07 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -88.97 -23.79 22.57 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.348 0.659 . . . . 0.93 111.356 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -80.66 -6.1 57.9 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.028 0.531 . . . . 0.71 111.116 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -19.51 63.62 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.471 0.708 . . . . 1.54 112.564 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.53 -43.21 97.41 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 118.322 0.51 . . . . 2.15 111.495 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.0 tp -79.95 -23.24 41.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.392 0.277 . . . . 0.49 111.046 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.83 -35.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.771 0.428 . . . . 0.56 110.427 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.21 63.94 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 111.817 -0.513 . . . . 0.42 111.817 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.28 -14.92 59.22 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.91 111.313 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -56.99 13.34 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.403 0.681 . . . . 0.69 111.285 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.595 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -89.39 -6.04 56.93 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.66 0.615 . . . . 0.55 112.66 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -89.5 -32.8 17.02 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.886 0.312 . . . . 1.1 110.901 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -96.93 27.81 3.83 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.288 0.235 . . . . 1.68 111.592 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.22 -42.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.839 0.456 . . . . 0.63 110.157 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -32.06 9.94 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.608 0.363 . . . . 1.64 111.836 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -129.56 57.68 1.66 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 121.466 0.65 . . . . 1.65 111.351 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -39.1 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.81 -0.632 . . . . 2.03 111.182 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -127.15 74.34 1.5 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.974 -1.121 . . . . 1.36 107.974 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.0 74.13 2.89 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tp -173.94 -51.25 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.124 0.57 . . . . 1.27 111.054 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -91.49 -37.86 12.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.536 0.334 . . . . 1.61 111.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 25.0 pt -122.33 141.88 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.83 0.452 . . . . 1.04 110.674 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -149.53 19.99 0.93 Allowed 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.923 0.712 . . . . 2.42 112.923 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.65 102.09 2.36 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.721 0.296 . . . . 1.86 110.513 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.191 -0.909 . . . . 1.85 110.611 -179.784 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.459 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 113.211 0.819 . . . . 2.71 113.211 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.8 149.09 37.54 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 122.727 0.411 . . . . 1.02 111.728 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.539 ' HB1' ' HG2' ' A' ' 14' ' ' GLU . . . -100.44 105.05 16.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.838 0.455 . . . . 0.7 110.769 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.28 144.0 27.29 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.257 0.623 . . . . 1.02 111.414 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.67 131.34 41.73 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.87 2.38 . . . . 0.74 113.364 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.9 mt -127.94 -146.83 0.34 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 109.171 -0.677 . . . . 1.19 109.171 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -63.13 178.29 0.52 Allowed 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.247 0.931 . . . . 0.98 111.839 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -55.24 -46.1 76.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.242 0.83 . . . . 1.42 113.242 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.72 -40.97 27.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.716 0.235 . . . . 0.65 111.383 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -66.27 -25.34 66.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.612 0.365 . . . . 1.03 111.603 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.83 -28.08 26.33 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.065 0.546 . . . . 0.81 111.036 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.4 m -56.96 -54.32 48.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.655 0.382 . . . . 0.63 111.114 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.61 -22.99 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 O-C-N 123.097 0.248 . . . . 0.56 111.53 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 2.0 tm-20 -71.85 -38.78 70.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.693 0.397 . . . . 1.0 110.407 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -58.8 -36.4 74.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.695 0.398 . . . . 0.77 111.557 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.09 -32.89 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.46 0.304 . . . . 0.5 110.979 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.59 -60.79 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 0.95 110.755 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -58.34 -32.48 68.56 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.628 0.974 . . . . 0.62 113.628 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.96 -41.6 82.2 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.393 0.516 . . . . 0.66 112.393 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -105.78 5.68 31.09 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.554 0.946 . . . . 0.95 113.554 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -71.98 -26.16 62.14 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 118.979 0.809 . . . . 3.17 110.858 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.6 m -67.15 -35.44 79.71 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.941 0.496 . . . . 1.37 110.781 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.71 -37.58 19.23 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.837 0.455 . . . . 1.55 110.592 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.27 73.88 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.848 0.684 . . . . 0.83 112.848 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.18 -14.47 59.45 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 112.744 0.646 . . . . 1.55 112.744 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.76 -37.03 85.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.683 0.623 . . . . 1.8 112.683 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.38 -170.85 1.83 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.024 0.529 . . . . 1.59 111.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.38 133.74 33.92 Favored Glycine 0 C--N 1.359 1.85 0 N-CA-C 114.861 0.704 . . . . 0.92 114.861 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 61.48 141.98 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.258 1.023 . . . . 2.6 113.043 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.32 -36.42 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.65 -0.705 . . . . 1.22 111.816 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -76.98 -16.97 59.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.313 0.857 . . . . 1.43 113.313 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.5 p -104.05 143.85 32.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.179 0.807 . . . . 1.09 113.179 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.11 148.6 22.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.656 0.782 . . . . 0.76 109.241 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -81.56 143.96 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 117.672 0.215 . . . . 0.68 111.088 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.13 -22.72 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 112.565 0.58 . . . . 0.64 112.565 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -93.32 -34.67 13.42 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.729 0.412 . . . . 0.82 111.622 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -75.0 -39.31 61.3 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.59 0.589 . . . . 1.54 112.59 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -33.63 76.04 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.796 0.271 . . . . 0.65 111.15 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -63.39 -35.79 81.58 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.241 0.338 . . . . 0.87 110.874 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.09 -32.08 71.26 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.501 0.32 . . . . 0.73 110.812 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.62 -30.94 71.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.941 0.497 . . . . 0.65 110.981 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG13 HD12 ' A' ' 50' ' ' LEU . 92.9 t -77.45 -32.54 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.845 0.458 . . . . 0.45 112.045 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.82 14.82 28.99 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.15 0.796 . . . . 0.8 113.15 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -141.52 -55.38 0.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.597 0.635 . . . . 1.1 112.653 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -106.74 -1.82 22.22 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.053 0.76 . . . . 0.84 113.053 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tp -144.23 46.77 0.67 Allowed Pre-proline 0 CA--C 1.562 1.41 0 CA-C-N 118.182 0.446 . . . . 0.67 112.081 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.54 -40.42 0.11 Allowed 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 122.183 1.922 . . . . 0.52 114.305 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -65.22 -25.69 67.8 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.234 0.457 . . . . 0.85 112.234 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -70.83 -56.0 7.28 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.642 0.377 . . . . 0.87 111.144 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 HG13 ' A' ' 42' ' ' VAL . 89.8 mt -98.21 106.0 18.23 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.603 0.564 . . . . 0.73 110.255 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -51.92 -37.13 51.47 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 112.999 0.74 . . . . 1.32 112.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -102.05 94.5 5.8 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 123.321 0.388 . . . . 2.08 110.372 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -85.63 -26.55 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 112.149 0.425 . . . . 0.71 112.149 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.62 -56.18 3.02 Favored Glycine 0 C--N 1.355 1.626 0 CA-C-O 119.666 -0.519 . . . . 0.83 112.804 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -83.39 76.12 9.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.167 0.508 . . . . 0.85 110.66 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.92 -5.77 37.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.42 -0.809 . . . . 1.22 110.714 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.56 -33.32 69.8 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.397 0.888 . . . . 0.77 113.397 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -56.86 -40.56 76.37 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.925 0.33 . . . . 1.09 111.275 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -93.54 -25.98 17.34 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.295 0.372 . . . . 1.55 111.032 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.4 ' HA ' HD12 ' A' ' 63' ' ' LEU . 40.6 ttp -67.84 -38.29 82.99 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.679 0.392 . . . . 0.84 111.575 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -64.42 -37.85 88.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.389 -0.226 . . . . 2.56 110.389 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -77.01 -35.5 56.99 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.61 0.364 . . . . 0.61 110.484 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 60' ' ' MET . 9.6 mt -57.75 -51.1 70.96 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.465 0.706 . . . . 0.68 110.978 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.3 70.09 5.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.554 -0.535 . . . . 1.39 109.554 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.9 p -90.49 -18.89 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 115.616 -0.72 . . . . 0.73 112.122 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -85.04 -20.82 29.85 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 111.976 0.361 . . . . 1.44 111.976 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 61.66 75.66 0.4 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.869 0.867 . . . . 1.96 111.398 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -150.17 18.03 0.86 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.017 -0.538 . . . . 1.41 112.204 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t 72.54 -54.6 0.69 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.273 1.029 . . . . 1.31 112.408 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.24 147.04 28.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 2.42 111.096 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.64 101.62 11.05 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.908 0.483 . . . . 0.95 110.966 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -65.16 171.7 3.54 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.055 -0.72 . . . . 1.89 109.055 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.84 -30.49 71.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.504 1.047 . . . . 1.2 111.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.64 -29.46 66.94 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 0.98 109.675 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.46 -39.08 23.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.097 0.559 . . . . 1.03 110.192 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -69.63 -18.96 63.63 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.507 0.723 . . . . 0.69 111.04 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -49.32 -29.5 6.14 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.151 1.38 . . . . 1.62 113.434 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -61.23 -38.49 86.84 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.724 0.41 . . . . 1.96 111.393 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.49 -27.02 32.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.207 0.317 . . . . 0.53 110.711 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.55 -39.35 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.727 0.411 . . . . 0.61 110.131 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.87 92.3 Favored Glycine 0 C--N 1.354 1.572 0 O-C-N 123.22 0.325 . . . . 0.47 112.516 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.38 -16.48 60.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.87 0.468 . . . . 0.86 112.011 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.07 -46.39 89.72 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.029 0.532 . . . . 0.67 111.386 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . . . -97.08 -13.5 22.16 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.475 0.546 . . . . 0.55 112.475 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -80.04 -30.8 39.5 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.481 0.312 . . . . 0.96 110.377 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.51 -9.49 41.16 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.338 0.496 . . . . 1.65 112.338 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -73.57 -39.37 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.659 0.663 . . . . 0.66 110.539 179.192 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -103.04 -39.59 6.83 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.349 0.5 . . . . 1.74 112.349 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -127.89 76.74 1.71 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.522 0.564 . . . . 1.52 112.522 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.22 -37.29 20.26 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.571 -0.286 . . . . 1.87 110.296 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -132.72 77.2 1.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.886 -1.153 . . . . 1.53 107.886 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -49.54 -38.91 32.74 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.347 1.24 . . . . 1.81 114.347 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.59 56.65 0.63 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.139 0.495 . . . . 1.24 111.077 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -164.0 -52.3 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.042 -0.526 . . . . 1.73 110.679 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.2 pt -132.08 123.82 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.215 0.606 . . . . 1.06 110.41 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -129.42 29.62 5.07 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.599 0.592 . . . . 2.26 112.599 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -154.75 85.63 1.11 Allowed 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.121 0.486 . . . . 1.74 111.238 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--N 1.351 0.651 0 CA-C-N 115.84 -0.618 . . . . 1.71 110.391 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 111.781 0.289 . . . . 1.75 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.39 146.13 23.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.729 0.412 . . . . 0.78 111.423 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.21 119.64 30.7 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 122.612 0.365 . . . . 0.69 110.776 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -114.74 141.27 26.5 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 122.845 0.458 . . . . 1.1 111.647 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.35 132.9 11.58 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.575 2.183 . . . . 0.83 112.832 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.88 -60.23 0.98 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.816 0.446 . . . . 1.24 111.262 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -119.65 164.77 15.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.485 0.714 . . . . 1.06 109.899 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -51.4 -54.01 30.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.975 0.731 . . . . 1.51 112.975 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.19 -35.93 80.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.056 0.391 . . . . 0.65 112.056 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.17 -37.08 75.08 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 110.335 -0.246 . . . . 0.95 110.335 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.56 -36.36 76.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.279 0.632 . . . . 0.85 111.252 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 -50.82 69.37 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.415 0.286 . . . . 0.56 111.564 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -78.68 -23.15 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 112.374 0.509 . . . . 0.53 112.374 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.61 -37.24 65.48 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.871 0.468 . . . . 1.0 110.767 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.52 0.328 . . . . 0.88 111.485 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.78 -34.36 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.516 0.326 . . . . 0.56 110.653 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.53 -59.04 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 122.931 0.492 . . . . 0.97 110.451 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -63.43 -19.34 64.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.774 1.398 . . . . 0.67 114.774 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.6 m -83.21 -40.78 19.2 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.75 0.704 . . . . 0.69 112.293 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -97.87 -21.91 16.64 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.201 0.815 . . . . 1.02 113.201 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' PHE . . . . . 0.556 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 3.0 m-85 -63.1 -18.22 63.16 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.325 0.861 . . . . 3.08 113.325 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -61.71 -33.98 74.98 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.229 0.468 . . . . 1.37 110.785 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.79 -24.09 12.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.108 0.563 . . . . 1.54 111.285 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' B' ' 21' ' ' PHE . . . -66.97 -21.64 65.96 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.345 0.869 . . . . 0.85 113.345 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -90.27 39.31 0.96 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.625 0.37 . . . . 1.73 111.177 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -114.43 -42.75 3.26 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.784 0.434 . . . . 1.68 111.946 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -115.52 102.24 9.62 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 112.782 0.66 . . . . 1.45 112.782 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 113.96 0.01 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 115.498 0.959 . . . . 0.86 115.498 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 57.6 151.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.355 1.062 . . . . 2.62 113.691 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -84.38 -33.93 23.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.739 -0.664 . . . . 1.11 112.103 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -99.97 43.65 1.05 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.485 0.55 . . . . 1.36 112.485 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 75.7 p -147.85 148.81 31.27 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 111.737 0.273 . . . . 1.13 111.737 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.79 136.17 37.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.077 0.551 . . . . 0.79 109.661 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t -74.37 157.89 34.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 111.893 0.331 . . . . 0.69 111.893 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.65 -33.2 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 116.075 -0.511 . . . . 0.71 112.127 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -88.91 -22.29 23.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.994 0.368 . . . . 0.83 111.994 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -84.11 -37.32 22.16 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.566 0.58 . . . . 1.61 112.566 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.89 -34.79 77.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.105 0.411 . . . . 0.66 110.984 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -59.43 -41.95 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.163 0.585 . . . . 0.81 110.745 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.02 -30.08 62.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.785 0.434 . . . . 0.69 111.168 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.01 -32.78 74.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.695 0.398 . . . . 0.68 110.935 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.64 -29.57 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 122.916 0.486 . . . . 0.48 110.892 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -106.08 41.88 1.34 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 122.912 0.485 . . . . 0.83 111.501 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -162.59 -59.99 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 O-C-N 122.276 -0.265 . . . . 0.98 111.401 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.69 -11.74 15.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.149 0.796 . . . . 0.73 113.149 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tp -134.31 44.89 1.31 Allowed Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 112.348 0.499 . . . . 0.62 112.348 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -85.03 -36.55 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 122.312 2.008 . . . . 0.48 115.642 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.28 -33.38 63.24 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.148 0.425 . . . . 0.81 112.148 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.84 -59.52 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.879 0.472 . . . . 0.88 111.199 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.35 111.01 23.46 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.004 -0.739 . . . . 0.7 109.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -28.93 66.73 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.096 0.776 . . . . 1.23 113.096 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.18 77.84 6.88 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 120.78 0.324 . . . . 1.94 110.697 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 m -88.4 -24.46 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 112.682 0.623 . . . . 0.6 112.682 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.81 -59.16 1.14 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-O 119.837 -0.424 . . . . 0.67 113.378 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.0 t -75.09 82.81 2.29 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.171 0.51 . . . . 0.92 111.476 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 -13.17 58.93 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.782 0.66 . . . . 1.24 112.782 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.39 -39.71 67.51 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.66 0.985 . . . . 0.73 113.66 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.9 -31.33 72.21 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.161 0.437 . . . . 1.1 111.249 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.11 47.25 1.22 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 122.808 0.443 . . . . 1.47 111.102 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttp -138.53 -49.98 0.55 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.454 0.302 . . . . 0.81 110.636 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -70.32 -34.03 72.21 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.071 0.232 . . . . 2.39 110.422 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -71.94 -31.9 66.79 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.685 0.394 . . . . 0.63 111.692 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.21 -60.7 2.12 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 110.154 -0.313 . . . . 0.69 110.154 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.28 71.2 10.54 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.313 0.578 . . . . 1.32 109.513 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -72.99 -29.61 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 115.608 -0.723 . . . . 0.72 112.066 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -75.08 -23.01 57.95 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.057 0.392 . . . . 1.38 112.057 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 65.61 74.81 0.36 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.442 0.697 . . . . 2.02 111.594 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.93 12.4 0.86 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 112.961 0.726 . . . . 1.3 112.961 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 62.5 m 58.6 24.79 12.43 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.217 0.821 . . . . 1.35 113.217 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -138.16 101.85 4.51 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.141 -0.688 . . . . 2.4 109.141 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.86 87.97 7.16 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.485 0.314 . . . . 1.13 111.837 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -67.15 174.94 2.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.903 -0.777 . . . . 1.81 108.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 3.2 t80 -66.57 -20.47 66.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.285 0.948 . . . . 1.23 111.447 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.91 -31.75 56.92 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.697 -0.483 . . . . 0.99 109.697 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.64 -48.08 9.85 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.905 0.482 . . . . 0.93 109.993 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.53 -21.08 66.58 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.592 0.757 . . . . 0.71 110.354 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -32.5 -49.07 0.2 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.224 1.81 . . . . 1.54 113.959 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.61 -36.32 71.61 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.758 0.651 . . . . 2.15 112.758 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -74.59 -39.52 62.15 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.341 -0.362 . . . . 0.49 111.259 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.54 -31.36 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 109.875 -0.417 . . . . 0.56 109.875 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.11 -40.21 88.31 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.681 -0.968 . . . . 0.42 110.681 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.8 -26.5 61.53 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 122.993 0.517 . . . . 0.91 111.174 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.01 -58.72 7.42 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.833 0.453 . . . . 0.69 110.87 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.43 -15.95 56.96 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.97 0.729 . . . . 0.55 112.97 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -84.14 -37.4 21.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.035 0.38 . . . . 1.1 110.541 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.56 26.13 6.43 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.774 0.657 . . . . 1.68 112.774 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.526 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.0 OUTLIER -93.33 -39.02 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.578 -0.897 . . . . 0.63 108.578 176.683 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -103.16 -33.46 9.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.18 0.592 . . . . 1.64 111.919 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -128.61 62.13 1.47 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.314 0.487 . . . . 1.65 112.314 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -73.61 -42.5 61.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 122.391 -0.193 . . . . 2.03 110.89 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -128.02 73.13 1.44 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.335 -0.617 . . . . 1.36 109.335 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.95 69.8 2.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.384 0.611 . . . . 1.72 111.072 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 tp -162.0 -53.23 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.493 -0.776 . . . . 1.27 110.968 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -100.55 -41.41 6.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.819 0.447 . . . . 1.61 111.209 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 pt -120.6 125.26 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.092 0.557 . . . . 1.04 110.208 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -142.19 36.15 1.53 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.431 0.53 . . . . 2.42 112.431 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -162.23 103.5 1.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.158 0.429 . . . . 1.86 112.158 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.227 -0.892 . . . . 1.85 110.383 178.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.412 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.458 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 112.704 0.631 . . . . 2.71 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 155.88 16.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.351 0.26 . . . . 1.02 111.469 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 118.29 36.37 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 122.803 0.441 . . . . 0.7 110.76 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.77 132.79 20.58 Favored Pre-proline 0 N--CA 1.477 0.903 0 CA-C-O 119.125 -0.464 . . . . 1.02 110.842 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -63.43 126.62 18.05 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.392 2.061 . . . . 0.74 112.374 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.3 mt -124.75 -154.64 0.63 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.18 0.592 . . . . 1.19 110.313 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -56.91 156.7 6.41 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.438 0.563 . . . . 0.98 111.595 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -36.64 -53.06 0.9 Allowed 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 114.667 1.358 . . . . 1.42 114.667 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.7 -43.29 76.35 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.104 0.411 . . . . 0.65 111.571 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.27 -31.25 71.95 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.268 0.355 . . . . 1.03 111.297 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -80.04 -25.31 40.21 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.986 0.515 . . . . 0.81 112.018 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.6 m -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 117.762 0.255 . . . . 0.63 110.569 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.76 -18.55 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.484 0.314 . . . . 0.56 111.535 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -72.8 -41.86 64.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.287 0.635 . . . . 1.0 110.845 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 m -59.19 -28.12 66.34 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 122.824 0.449 . . . . 0.77 111.597 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.86 -26.99 38.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.976 0.51 . . . . 0.5 111.184 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.26 40.38 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.319 0 C-N-CA 123.039 0.536 . . . . 0.95 110.913 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 HACB ' A' ' 99' ' ' ANW . 40.4 p -149.05 -49.53 0.15 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.459 0.54 . . . . 0.62 112.459 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -62.99 -53.66 50.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.087 0.403 . . . . 0.66 112.087 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CD1' HD13 ' A' ' 41' ' ' LEU . 23.7 t80 -100.79 8.86 43.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.306 0.484 . . . . 0.95 112.306 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -68.38 -28.93 67.54 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.332 0.515 . . . . 3.17 111.101 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m -63.05 -39.7 95.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.616 0.367 . . . . 1.37 110.73 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.89 -26.88 33.77 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.442 0.297 . . . . 1.55 111.041 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.82 75.14 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.342 0.497 . . . . 0.83 112.342 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -81.84 -1.83 48.88 Favored 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 113.15 0.796 . . . . 1.55 113.15 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -65.05 -42.53 94.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.255 0.48 . . . . 1.8 111.102 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -94.11 -176.7 4.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.04 0.536 . . . . 1.59 110.484 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.38 151.2 8.03 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.304 0.482 . . . . 0.92 114.304 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 63.29 115.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.929 0.892 . . . . 2.6 111.252 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.66 -37.59 86.93 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.309 0.485 . . . . 1.22 112.309 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -94.49 30.74 1.91 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 111.922 0.341 . . . . 1.43 111.922 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 t -135.42 156.6 48.65 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 122.978 0.511 . . . . 1.09 111.148 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.16 151.9 25.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.854 0.462 . . . . 0.76 110.13 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -80.55 157.48 26.07 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 110.596 -0.149 . . . . 0.68 110.596 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -30.86 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 112.058 0.392 . . . . 0.64 112.058 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -90.56 -32.35 16.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.649 0.38 . . . . 0.82 111.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.62 -35.61 65.36 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.396 0.517 . . . . 1.54 112.396 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -35.89 82.44 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.851 0.296 . . . . 0.65 110.396 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -63.63 -39.4 94.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.847 0.459 . . . . 0.87 110.895 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.06 -32.54 73.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.516 0.326 . . . . 0.73 110.993 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 20' ' ' PHE . 28.8 tp -66.73 -31.61 72.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.585 0.354 . . . . 0.65 111.007 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -81.4 -21.7 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.733 0.413 . . . . 0.45 111.756 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -110.43 34.48 3.91 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 118.146 0.43 . . . . 0.8 112.108 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.27 -48.63 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.485 0.55 . . . . 1.1 112.485 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -110.14 -21.81 12.09 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.709 0.633 . . . . 0.84 112.709 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -128.8 40.62 0.62 Allowed Pre-proline 0 CA--C 1.565 1.544 0 N-CA-C 112.4 0.519 . . . . 0.67 112.4 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.76 -37.24 0.27 Allowed 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.054 1.836 . . . . 0.52 114.496 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -69.25 -27.21 65.25 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.216 0.45 . . . . 0.85 112.216 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 ' HG ' ' A' ' 83' ' ' LEU . 12.5 tp -68.2 -61.58 1.78 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.086 0.154 . . . . 0.87 110.9 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -84.84 113.79 21.62 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 108.695 -0.854 . . . . 0.73 108.695 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -34.26 51.89 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.312 0.856 . . . . 1.32 113.312 -178.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -106.86 116.89 32.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.748 0.419 . . . . 2.08 110.292 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.9 m -105.49 -34.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 112.393 0.516 . . . . 0.71 112.393 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.94 -53.87 5.58 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 120.002 -0.332 . . . . 0.83 113.292 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 t -88.26 74.84 8.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.169 0.509 . . . . 0.85 110.836 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -2.72 57.62 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.871 -0.604 . . . . 1.22 111.453 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.85 -23.24 66.14 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.426 0.899 . . . . 0.77 113.426 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.88 -42.36 97.51 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.03 0.377 . . . . 1.09 111.179 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.58 -27.02 17.62 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.377 0.423 . . . . 1.55 111.818 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.2 ttp -56.82 -34.4 67.69 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.375 0.509 . . . . 0.84 112.375 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.71 -39.39 93.57 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.533 0.333 . . . . 2.56 111.32 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -68.83 -32.98 73.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.433 0.293 . . . . 0.61 111.373 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 79' ' ' LEU . 54.6 mt -71.82 -54.97 8.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.57 0.348 . . . . 0.68 110.609 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.0 64.86 4.72 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.982 0.42 . . . . 1.39 110.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -89.81 -35.03 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.957 -0.565 . . . . 0.73 110.262 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.79 -33.19 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.747 0.419 . . . . 1.44 110.011 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 64.44 82.57 0.18 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.118 0.967 . . . . 1.96 111.94 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.49 18.88 0.93 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.849 -0.614 . . . . 1.41 111.846 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.9 t 58.79 25.58 13.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.707 0.803 . . . . 1.31 113.003 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -144.37 127.01 16.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.676 -0.491 . . . . 2.42 109.676 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -104.61 82.26 1.88 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.007 0.432 . . . . 0.95 110.883 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -68.18 156.82 36.75 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.757 -0.656 . . . . 1.89 109.61 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.39 -30.92 61.32 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.665 0.666 . . . . 1.2 112.059 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -67.56 -26.82 66.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 117.644 0.202 . . . . 0.98 110.952 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.29 -31.7 11.22 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.5 0.72 . . . . 1.03 111.194 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.518 ' HA ' HD22 ' A' ' 63' ' ' LEU . 68.1 t80 -82.78 -4.13 57.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.867 0.867 . . . . 0.69 112.385 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -17.94 64.97 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.113 0.415 . . . . 1.62 111.889 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.526 ' HB2' HD23 ' A' ' 63' ' ' LEU . 49.2 mmm-85 -64.29 -35.38 80.68 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 110.272 -0.27 . . . . 1.96 110.272 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 63' ' ' LEU . 7.8 tp -81.59 -36.61 28.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 109.851 -0.425 . . . . 0.53 109.851 178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mm -58.3 -41.69 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 122.725 0.41 . . . . 0.61 110.05 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.08 83.61 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 111.522 -0.631 . . . . 0.47 111.522 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.75 -21.44 61.02 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.304 0.642 . . . . 0.86 111.421 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' ' 49' ' ' LEU . 1.3 mp -66.5 -46.52 75.97 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.593 -0.521 . . . . 0.67 109.593 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -83.97 -12.21 55.65 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.926 -0.579 . . . . 0.55 111.954 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -89.18 -44.21 10.46 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 122.56 0.344 . . . . 0.96 110.567 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.2 51.41 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.118 0.485 . . . . 1.65 110.849 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.56 -42.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.536 0.734 . . . . 0.66 109.561 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.23 -29.49 9.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.044 0.537 . . . . 1.74 111.248 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -120.06 33.73 5.49 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.752 0.649 . . . . 1.52 112.752 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 122.027 -0.421 . . . . 1.87 110.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -142.23 57.84 1.46 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.944 -0.761 . . . . 1.53 108.944 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.63 -27.91 69.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.022 0.749 . . . . 1.81 113.022 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.93 -35.6 78.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 111.919 0.34 . . . . 1.24 111.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -96.54 -60.9 1.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.721 0.408 . . . . 1.73 111.415 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.72 145.69 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 122.855 0.462 . . . . 1.06 110.94 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -147.29 50.34 1.09 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.985 0.735 . . . . 2.26 112.985 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -172.34 120.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.63 0.372 . . . . 1.74 111.527 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.009 0.433 . . . . 1.71 110.659 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 CA--C 1.552 1.051 0 N-CA-C 111.953 0.353 . . . . 1.75 111.953 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.36 140.06 43.0 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 123.011 0.524 . . . . 0.78 110.946 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -79.31 133.31 36.62 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 111.44 0.163 . . . . 0.69 111.44 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -136.77 147.24 58.55 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 122.94 0.496 . . . . 1.1 111.632 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 142.05 70.69 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.729 2.286 . . . . 0.83 113.171 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -141.44 -51.49 0.43 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 111.879 0.326 . . . . 1.24 111.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -146.98 164.32 33.35 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.255 0.622 . . . . 1.06 109.964 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -51.69 -43.29 62.7 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.689 0.625 . . . . 1.51 112.689 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.53 -38.35 26.37 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.578 0.172 . . . . 0.65 111.278 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.08 -29.38 69.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.216 0.206 . . . . 0.95 110.671 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.33 -29.27 42.25 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.138 0.575 . . . . 0.85 110.695 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -57.25 -49.98 74.32 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.452 0.301 . . . . 0.56 111.526 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.486 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -76.4 -27.47 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 116.678 -0.237 . . . . 0.53 111.435 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.638 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 1.5 tm-20 -71.61 -36.86 70.94 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.956 0.503 . . . . 1.0 111.63 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -60.38 -33.43 72.45 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.626 0.37 . . . . 0.88 111.707 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -69.77 -29.86 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.306 0.242 . . . . 0.56 110.394 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.8 -49.81 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 122.794 0.437 . . . . 0.97 110.876 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -70.3 -43.08 71.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.784 1.031 . . . . 0.67 113.784 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -61.6 -31.28 71.34 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.026 0.75 . . . . 0.69 113.026 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -103.93 -13.93 16.17 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.507 0.928 . . . . 1.02 113.507 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' PHE . . . . . 0.47 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.4 OUTLIER -62.2 -24.65 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 118.934 0.788 . . . . 3.08 112.887 -179.468 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -55.65 -39.82 71.38 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.699 0.399 . . . . 1.37 111.669 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.16 -29.47 12.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.786 0.435 . . . . 1.54 111.581 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' B' ' 21' ' ' PHE . . . -57.28 -30.72 64.94 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.413 0.894 . . . . 0.85 113.413 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -79.34 -9.45 59.59 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 113.329 0.863 . . . . 1.73 113.329 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.73 -51.36 70.08 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.297 0.499 . . . . 1.68 111.842 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -83.17 177.39 8.58 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.341 0.256 . . . . 1.45 110.567 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.75 150.87 21.39 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 119.942 -0.366 . . . . 0.86 113.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 66.35 127.16 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.934 0.894 . . . . 2.62 111.359 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -70.54 -50.71 34.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.155 0.182 . . . . 1.11 111.309 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -87.44 68.3 9.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.837 0.351 . . . . 1.36 111.089 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -160.61 157.57 27.49 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.167 -0.47 . . . . 1.13 111.536 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.21 144.09 43.29 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.066 0.547 . . . . 0.79 109.632 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -85.47 158.97 20.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 121.927 0.091 . . . . 0.69 110.765 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -70.38 -35.07 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 112.491 0.552 . . . . 0.71 112.491 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -87.42 -25.07 23.97 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 111.988 0.366 . . . . 0.83 111.988 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -79.75 -42.83 23.72 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.76 0.652 . . . . 1.61 112.76 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -30.43 71.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 117.872 0.306 . . . . 0.66 110.74 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -69.94 -39.1 76.28 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.953 0.501 . . . . 0.81 110.81 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.86 -35.5 74.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.733 0.413 . . . . 0.69 111.392 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.58 -35.44 79.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.641 0.377 . . . . 0.68 111.253 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.26 -26.41 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 C-N-CA 123.037 0.535 . . . . 0.48 111.385 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -109.17 36.29 2.96 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.709 0.403 . . . . 0.83 111.621 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -159.57 -54.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 111.918 0.34 . . . . 0.98 111.918 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -114.65 -3.07 12.92 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 113.238 0.829 . . . . 0.73 113.238 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 1.7 tp -144.19 50.69 1.31 Allowed Pre-proline 0 CA--C 1.563 1.456 0 CA-C-N 118.538 0.608 . . . . 0.62 111.833 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 74.5 Cg_endo -88.09 -39.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.309 2.006 . . . . 0.48 115.679 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -70.14 -32.14 69.99 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.825 0.676 . . . . 0.81 112.825 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.4 -58.78 5.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.443 0.297 . . . . 0.88 111.603 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -86.48 116.78 24.84 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.321 -0.622 . . . . 0.7 109.321 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.63 -40.32 52.82 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.763 1.023 . . . . 1.23 113.763 -178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -110.23 118.97 37.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 117.821 0.282 . . . . 1.94 110.306 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.9 m -104.38 -31.51 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 112.28 0.474 . . . . 0.6 112.28 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.36 -41.92 11.06 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.795 -0.447 . . . . 0.67 113.196 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -94.17 87.87 5.42 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.963 0.381 . . . . 0.92 111.485 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.14 32.84 5.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.953 0.501 . . . . 1.24 110.644 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.5 -37.83 22.58 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.175 0.19 . . . . 0.73 111.276 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.24 -33.33 75.73 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.514 0.326 . . . . 1.1 111.277 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -84.16 -43.63 14.78 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.866 0.467 . . . . 1.47 111.718 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.5 ttp -55.98 -45.67 78.91 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 112.606 0.595 . . . . 0.81 112.606 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -66.03 -33.36 75.63 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.478 0.311 . . . . 2.39 111.191 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -74.88 -29.6 61.05 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.77 0.428 . . . . 0.63 110.909 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' B' ' 79' ' ' LEU . 54.1 mt -74.63 -63.7 1.19 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.869 0.468 . . . . 0.69 111.275 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.07 85.26 6.33 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.941 0.4 . . . . 1.32 110.47 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.48 -34.55 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 115.835 -0.62 . . . . 0.72 111.96 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.75 -24.98 61.86 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.317 0.488 . . . . 1.38 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 64.91 82.62 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.994 0.918 . . . . 2.02 112.19 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -146.9 15.66 1.21 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.218 -0.901 . . . . 1.3 111.859 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t 76.57 -50.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.233 1.013 . . . . 1.35 112.568 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -78.0 127.6 32.59 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.801 0.44 . . . . 2.4 111.088 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -92.07 88.44 6.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.337 0.255 . . . . 1.13 110.371 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -61.32 159.32 12.62 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.913 0.485 . . . . 1.81 110.474 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.11 -27.62 68.87 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.493 0.588 . . . . 1.23 111.727 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -20.3 63.36 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 110.099 -0.334 . . . . 0.99 110.099 176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -102.78 -26.8 13.02 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.023 0.929 . . . . 0.93 111.346 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.641 ' HA ' HD22 ' B' ' 63' ' ' LEU . 74.6 t80 -83.1 -5.88 59.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.124 0.787 . . . . 0.71 113.124 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -15.96 60.07 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.878 0.763 . . . . 1.54 112.641 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.613 ' HB2' HD23 ' B' ' 63' ' ' LEU . 14.0 mmm-85 -65.8 -32.83 74.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.589 0.356 . . . . 2.15 110.866 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.705 ' HB2' HD21 ' B' ' 63' ' ' LEU . 6.1 tp -83.6 -35.43 24.68 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 119.481 -0.295 . . . . 0.49 110.976 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.2 mm -55.27 -35.47 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 109.89 -0.411 . . . . 0.56 109.89 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.56 -35.9 39.85 Favored Glycine 0 C--N 1.355 1.603 0 N-CA-C 111.803 -0.519 . . . . 0.42 111.803 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.96 -33.54 75.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.929 0.492 . . . . 0.91 110.685 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.36 -50.6 64.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.037 0.535 . . . . 0.69 110.213 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.94 66.39 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.462 0.542 . . . . 0.55 112.462 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 -37.09 20.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.771 0.429 . . . . 1.1 111.815 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.3 -2.47 49.17 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.71 1.004 . . . . 1.68 113.71 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.417 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -76.87 -41.47 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.48 0.582 . . . . 0.63 110.754 178.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -36.41 7.61 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.229 0.455 . . . . 1.64 112.229 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -129.71 76.71 1.74 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -95.32 -40.3 9.6 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.397 -0.594 . . . . 2.03 109.397 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -134.7 52.32 2.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.95 0.9 . . . . 1.36 108.654 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.6 -35.82 14.37 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.193 1.182 . . . . 1.72 114.193 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -73.97 -42.5 60.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.603 0.223 . . . . 1.27 111.603 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -75.69 -52.07 11.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.515 0.326 . . . . 1.61 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.7 pt -133.17 134.23 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.181 0.592 . . . . 1.04 110.728 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -135.8 43.15 2.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.569 0.348 . . . . 2.42 111.425 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.75 87.71 0.68 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.106 0.479 . . . . 1.86 111.783 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.1 tttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.172 -0.918 . . . . 1.85 110.325 179.186 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.466 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 113.143 0.794 . . . . 2.71 113.143 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.72 154.09 32.27 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 122.854 0.462 . . . . 1.02 111.391 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.28 27.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.315 -0.402 . . . . 0.7 111.213 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.77 142.45 25.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 123.017 0.527 . . . . 1.02 110.631 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.24 131.31 35.86 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.797 2.332 . . . . 0.74 113.69 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.0 mt -126.22 -157.8 0.82 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.185 0.594 . . . . 1.19 109.911 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -56.33 161.82 2.37 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.044 0.538 . . . . 0.98 111.539 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -48.19 -45.02 33.23 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 113.422 0.897 . . . . 1.42 113.422 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.9 -37.15 56.0 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 111.525 0.194 . . . . 0.65 111.525 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.18 -25.5 62.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.233 0.213 . . . . 1.03 110.731 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -83.99 -22.04 31.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.026 0.53 . . . . 0.81 111.524 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.8 m -56.84 -47.01 81.32 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 117.773 0.26 . . . . 0.63 110.796 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 14' ' ' GLU . 2.8 pp -76.33 -26.27 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.235 0.214 . . . . 0.56 111.041 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' HD12 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -70.03 -36.01 74.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.4 0.68 . . . . 1.0 112.123 179.194 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -55.84 -39.73 71.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.83 0.452 . . . . 0.77 112.201 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.93 -30.49 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.647 -0.131 . . . . 0.5 110.647 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.65 -6.32 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 122.995 0.518 . . . . 0.95 111.594 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -111.62 -22.05 11.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.157 0.799 . . . . 0.62 113.157 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -91.19 -57.79 2.67 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.86 0.689 . . . . 0.66 112.86 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -83.42 -12.09 56.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.534 0.938 . . . . 0.95 113.534 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.57 -18.8 64.41 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 118.522 0.601 . . . . 3.17 112.564 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -67.73 -32.34 72.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.665 0.386 . . . . 1.37 110.537 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -98.92 -33.16 10.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.169 0.588 . . . . 1.55 111.514 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.11 72.97 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.038 0.755 . . . . 0.83 113.038 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -73.08 -17.5 61.41 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.971 0.73 . . . . 1.55 112.971 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -56.35 -37.84 70.56 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.264 0.626 . . . . 1.8 112.104 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -131.7 129.66 40.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.767 0.427 . . . . 1.59 111.441 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.95 95.37 0.04 OUTLIER Glycine 0 C--N 1.355 1.639 0 CA-C-O 119.741 -0.477 . . . . 0.92 114.169 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.94 -178.11 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.492 0.717 . . . . 2.6 112.419 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -99.18 -33.07 10.91 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.948 0.499 . . . . 1.22 111.549 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.87 44.3 1.23 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.553 0.341 . . . . 1.43 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.9 t -147.56 139.67 24.32 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.826 0.306 . . . . 1.09 111.826 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -85.49 156.32 20.84 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.023 0.529 . . . . 0.76 110.343 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -93.95 156.01 16.84 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.348 0.259 . . . . 0.68 110.464 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.92 -24.18 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 112.427 0.528 . . . . 0.64 112.427 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -98.67 -26.92 14.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.959 0.355 . . . . 0.82 111.959 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -40.28 42.03 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.04 0.385 . . . . 1.54 112.04 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -34.67 76.83 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.88 0.309 . . . . 0.65 111.12 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -66.45 -38.09 86.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.873 0.469 . . . . 0.87 111.633 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.56 -31.06 70.87 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.292 0.37 . . . . 0.73 111.542 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 tp -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 0.65 111.39 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -73.85 -27.91 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 122.818 0.447 . . . . 0.45 110.917 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -104.34 33.22 3.61 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.537 0.335 . . . . 0.8 111.859 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.35 -61.88 0.07 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.327 0.492 . . . . 1.1 112.327 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -102.1 -5.52 24.39 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.252 0.834 . . . . 0.84 113.252 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -141.9 51.85 2.33 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 122.609 0.364 . . . . 0.67 111.41 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 88.2 Cg_endo -87.09 -40.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.128 1.886 . . . . 0.52 115.104 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -68.46 -31.29 70.48 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.663 0.616 . . . . 0.85 112.663 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 tp -65.62 -63.02 1.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 119.64 -0.219 . . . . 0.87 110.732 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.96 97.07 10.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.032 -0.729 . . . . 0.73 109.032 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -50.02 -33.79 19.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 113.307 0.855 . . . . 1.32 113.307 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.66 88.2 5.76 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.884 -0.413 . . . . 2.08 109.884 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.88 -27.34 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.28 0.474 . . . . 0.71 112.28 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.52 7.44 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-O 119.677 -0.513 . . . . 0.83 114.334 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.46 58.6 1.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.393 0.516 . . . . 0.85 112.393 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 63.47 4.48 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.149 0.5 . . . . 1.22 109.73 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.82 -38.62 4.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.848 -0.615 . . . . 0.77 111.506 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.77 -42.4 97.79 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.21 -0.292 . . . . 1.09 110.21 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.14 -42.15 76.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.905 -0.406 . . . . 1.55 109.905 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttp -56.16 -44.09 78.97 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.296 0.638 . . . . 0.84 111.566 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -36.0 78.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.736 0.414 . . . . 2.56 111.172 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -71.63 -34.42 69.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.224 0.61 . . . . 0.61 111.85 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.65 -64.33 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.227 0.211 . . . . 0.68 111.061 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.77 75.92 7.69 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.175 0.512 . . . . 1.39 110.128 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.93 -20.7 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 115.567 -0.742 . . . . 0.73 112.212 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -82.9 -25.7 32.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.696 0.399 . . . . 1.44 111.89 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 63.54 62.15 0.96 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.822 0.849 . . . . 1.96 111.515 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.41 15.11 6.09 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.559 -0.746 . . . . 1.41 111.412 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m 59.25 29.83 19.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 1.31 111.681 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -142.34 127.98 19.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.775 0.43 . . . . 2.42 111.008 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp -106.04 74.12 1.03 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.685 0.394 . . . . 0.95 110.326 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.49 162.96 22.08 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.057 -0.72 . . . . 1.89 109.057 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -24.99 33.88 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.402 0.89 . . . . 1.2 113.402 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.09 -33.57 67.98 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.287 0.494 . . . . 0.98 110.366 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.11 -43.6 11.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.216 0.606 . . . . 1.03 110.306 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.18 -20.21 66.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.615 0.766 . . . . 0.69 111.419 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -55.85 -25.36 41.71 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.608 0.763 . . . . 1.62 111.688 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -64.64 -34.09 77.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.395 0.278 . . . . 1.96 110.495 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.23 -32.65 49.9 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 109.826 -0.435 . . . . 0.53 109.826 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.29 -32.11 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.036 0.534 . . . . 0.61 111.121 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.64 84.6 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.293 -0.723 . . . . 0.47 111.293 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -73.84 -24.75 59.82 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.359 0.264 . . . . 0.86 110.396 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.98 -50.09 73.48 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.191 0.596 . . . . 0.67 110.849 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -81.98 -21.34 37.2 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.292 0.478 . . . . 0.55 112.292 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -79.99 -34.67 38.38 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.9 0.48 . . . . 0.96 111.756 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -88.53 13.72 11.4 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.101 0.778 . . . . 1.65 113.101 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -86.07 -46.72 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.547 0.612 . . . . 0.66 110.553 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.13 -38.17 8.25 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 119.255 -0.403 . . . . 1.74 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -116.92 61.42 0.73 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 121.001 0.429 . . . . 1.52 112.088 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -60.81 -34.94 75.29 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.769 -0.456 . . . . 1.87 109.769 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -160.72 69.6 0.37 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 108.156 -1.053 . . . . 1.53 108.156 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.05 -30.62 36.89 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.964 1.098 . . . . 1.81 113.964 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.08 -39.11 89.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 111.852 0.316 . . . . 1.24 111.852 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -89.41 -49.99 6.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.666 0.386 . . . . 1.73 111.081 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.66 125.44 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.082 0.553 . . . . 1.06 110.537 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -128.02 27.48 5.67 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.094 0.776 . . . . 2.26 113.094 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -161.76 97.21 1.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.849 0.357 . . . . 1.74 111.38 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.8 tttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 116.25 -0.432 . . . . 1.71 110.775 179.134 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 111.726 0.269 . . . . 1.75 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 121.57 43.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 122.957 0.503 . . . . 0.78 110.706 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -70.45 114.55 8.67 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.1 0.407 . . . . 0.69 112.1 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.4 138.63 19.78 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-O 119.037 -0.506 . . . . 1.1 110.37 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.23 133.78 60.14 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.937 2.425 . . . . 0.83 113.213 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -132.12 -146.91 0.3 Allowed 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 119.034 -0.507 . . . . 1.24 110.273 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -60.54 160.32 9.17 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.977 0.808 . . . . 1.06 111.299 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.34 -40.68 12.22 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.82 1.044 . . . . 1.51 113.82 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -77.3 -45.65 25.56 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.004 0.365 . . . . 0.65 111.445 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.75 -31.62 72.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.768 0.427 . . . . 0.95 111.085 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -73.5 -25.22 60.35 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.373 0.669 . . . . 0.85 111.391 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -60.2 -55.67 30.97 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.74 0.416 . . . . 0.56 111.021 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -71.08 -25.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 123.181 0.301 . . . . 0.53 111.285 178.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.473 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 8.4 tm-20 -67.41 -35.0 78.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.553 0.741 . . . . 1.0 111.397 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 59.7 m -62.41 -33.91 75.7 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.75 0.42 . . . . 0.88 111.669 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.28 -26.39 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.637 0.375 . . . . 0.56 111.48 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.27 12.03 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 122.743 0.417 . . . . 0.97 111.659 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -126.06 -45.45 1.71 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.168 0.587 . . . . 0.67 111.66 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -65.51 -43.51 89.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.645 0.378 . . . . 0.69 111.945 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.13 41.32 2.13 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.848 0.356 . . . . 1.02 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -97.14 -32.44 11.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.702 0.401 . . . . 3.08 111.07 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.1 m -66.41 -37.29 84.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.981 0.513 . . . . 1.37 111.811 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -82.52 -29.04 30.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 111.921 0.341 . . . . 1.54 111.921 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.64 77.46 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.345 0.498 . . . . 0.85 112.345 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -73.92 -22.13 59.8 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.805 1.039 . . . . 1.73 113.805 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -63.96 -27.5 69.18 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.38 0.881 . . . . 1.68 113.38 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -131.68 99.78 4.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.112 0.415 . . . . 1.45 111.766 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 109.85 0.2 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 114.373 0.509 . . . . 0.86 114.373 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.49 -176.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.706 1.002 . . . . 2.62 113.706 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -97.8 -52.91 3.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.992 0.517 . . . . 1.11 111.801 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.7 44.7 1.11 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.901 0.334 . . . . 1.36 111.901 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 91.1 p -147.38 127.36 13.63 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.407 0.283 . . . . 1.13 110.977 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -82.07 166.78 19.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.06 -0.518 . . . . 0.79 111.256 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -97.44 162.33 13.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.08 -0.341 . . . . 0.69 110.08 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.07 -25.95 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 112.484 0.55 . . . . 0.71 112.484 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -98.55 -27.95 13.8 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.46 0.541 . . . . 0.83 112.46 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.34 -30.31 53.84 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.685 0.624 . . . . 1.61 112.685 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -70.64 -36.78 73.61 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.283 0.492 . . . . 0.66 110.422 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -66.44 -35.43 80.27 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 122.67 0.388 . . . . 0.81 110.938 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.3 -33.78 76.51 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.243 -0.28 . . . . 0.69 110.243 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.37 -38.6 78.11 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 122.828 0.451 . . . . 0.68 110.349 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.38 -29.05 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.674 0.39 . . . . 0.48 111.47 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -102.47 25.49 8.97 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.274 0.472 . . . . 0.83 112.274 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -148.82 -58.13 0.22 Allowed 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.862 -0.524 . . . . 0.98 112.182 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -105.91 -15.49 14.9 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.281 0.845 . . . . 0.73 113.281 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 49.38 4.69 Favored Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 112.295 0.48 . . . . 0.62 112.295 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -85.94 -34.22 0.17 Allowed 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.582 2.188 . . . . 0.48 114.903 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -72.95 -31.49 64.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.599 0.592 . . . . 0.81 112.599 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.13 -56.27 8.17 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.028 0.131 . . . . 0.88 110.813 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -85.53 107.61 17.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.242 -0.651 . . . . 0.7 109.242 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -51.86 -34.92 42.9 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.007 1.114 . . . . 1.23 114.007 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -103.09 94.11 5.36 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.31 0.244 . . . . 1.94 111.543 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.82 -35.6 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 116.763 -0.199 . . . . 0.6 110.748 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.71 -45.09 5.58 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.391 0.432 . . . . 0.67 112.592 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -84.44 75.45 10.25 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 121.072 0.463 . . . . 0.92 110.594 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.39 -5.28 19.11 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.631 -0.713 . . . . 1.24 111.782 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.66 -31.86 73.1 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.905 0.705 . . . . 0.73 112.905 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.75 -37.46 86.42 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.483 0.313 . . . . 1.1 110.819 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -84.97 -47.09 10.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.525 0.33 . . . . 1.47 110.988 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -46.65 -47.07 20.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.404 0.89 . . . . 0.81 113.404 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -61.88 -35.6 78.79 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.724 0.238 . . . . 2.39 111.562 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.3 m -72.55 -28.12 62.64 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.064 0.228 . . . . 0.63 111.544 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.6 -57.86 3.81 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 110.16 -0.311 . . . . 0.69 110.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.19 84.6 7.42 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.402 0.438 . . . . 1.32 110.027 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -91.77 -28.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 115.592 -0.731 . . . . 0.72 112.099 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.74 -31.4 66.63 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.544 0.338 . . . . 1.38 111.3 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 66.9 75.1 0.32 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.909 0.884 . . . . 2.02 112.212 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -154.42 24.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.988 -0.551 . . . . 1.3 111.397 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t 54.49 38.89 30.54 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.444 0.698 . . . . 1.35 112.45 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -141.41 118.79 11.48 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.387 -0.37 . . . . 2.4 110.432 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.06 71.81 1.64 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.137 0.494 . . . . 1.13 110.292 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -66.46 158.54 29.25 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.799 -0.637 . . . . 1.81 109.594 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -51.42 -26.46 8.03 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.266 0.839 . . . . 1.23 113.266 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -75.81 -35.14 60.13 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 117.824 0.284 . . . . 0.99 110.347 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.96 -38.58 20.82 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.166 0.586 . . . . 0.93 110.432 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -73.88 -15.17 61.16 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.51 0.724 . . . . 0.71 110.933 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -53.68 -31.36 47.54 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.342 1.057 . . . . 1.54 112.848 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -65.48 -35.47 81.0 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.969 0.35 . . . . 2.15 111.408 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.42 -33.42 54.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 119.382 -0.342 . . . . 0.49 111.094 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.45 -36.29 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 110.25 -0.278 . . . . 0.56 110.25 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.99 71.8 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.98 -0.448 . . . . 0.42 111.98 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.34 -30.86 69.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.64 0.376 . . . . 0.91 110.524 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.59 -41.85 98.31 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.17 0.294 . . . . 0.69 110.363 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.84 52.23 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.089 0.774 . . . . 0.55 113.089 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -25.93 48.74 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.451 0.538 . . . . 1.1 112.451 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -96.57 13.33 28.51 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.433 0.901 . . . . 1.68 113.433 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.462 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.1 OUTLIER -86.17 -46.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 118.798 0.727 . . . . 0.63 111.117 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.99 -31.7 10.99 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 112.153 0.427 . . . . 1.64 112.153 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -127.34 61.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.544 0.572 . . . . 1.65 112.544 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -40.39 79.22 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 110.207 -0.294 . . . . 2.03 110.207 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -138.25 66.81 1.43 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 109.054 -0.721 . . . . 1.36 109.054 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.96 -31.07 49.44 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.488 1.292 . . . . 1.72 114.488 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 tp -77.9 -36.14 49.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.685 0.624 . . . . 1.27 112.685 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -88.61 -56.96 3.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.557 0.343 . . . . 1.61 111.215 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.02 131.14 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.207 0.603 . . . . 1.04 110.785 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -147.12 51.41 1.08 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.867 0.691 . . . . 2.42 112.867 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.27 34.24 0.28 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.244 0.461 . . . . 1.86 112.244 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.4 tttp . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.178 -0.915 . . . . 1.85 111.262 -179.408 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.425 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 112.331 0.493 . . . . 2.71 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.38 155.64 20.99 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.009 0.524 . . . . 1.02 111.492 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 135.63 37.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.267 -0.424 . . . . 0.7 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -124.03 142.04 38.66 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 122.851 0.461 . . . . 1.02 111.009 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.17 132.25 33.37 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.748 2.298 . . . . 0.74 113.15 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 mt -130.25 -135.19 0.21 Allowed 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.283 0.633 . . . . 1.19 109.505 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -62.68 164.52 7.61 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.102 0.865 . . . . 0.98 111.365 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.61 -41.5 63.73 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.026 0.75 . . . . 1.42 113.026 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.94 -38.72 64.17 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.725 0.239 . . . . 0.65 110.887 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 -29.73 64.63 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.05 0.54 . . . . 1.03 111.525 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -78.43 -21.61 48.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.824 0.449 . . . . 0.81 111.639 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -59.68 -55.58 32.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.824 0.449 . . . . 0.63 111.314 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.6 pp -75.08 -20.96 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 111.878 0.325 . . . . 0.56 111.878 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 13' ' ' ILE . 5.9 tm-20 -68.47 -31.58 70.97 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.072 0.549 . . . . 1.0 111.385 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -59.76 -39.34 84.48 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.902 0.481 . . . . 0.77 112.068 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.17 -26.89 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.201 0.2 . . . . 0.5 111.267 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.16 -13.51 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 112.427 0.529 . . . . 0.95 112.427 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.9 p -112.78 -12.15 13.39 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.265 0.839 . . . . 0.62 113.265 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -97.39 -59.78 1.71 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.357 0.526 . . . . 0.66 112.26 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' HD13 ' A' ' 41' ' ' LEU . 61.3 t80 -85.48 -36.39 20.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.997 0.74 . . . . 0.95 112.997 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -58.64 -23.02 58.28 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.874 0.694 . . . . 3.17 112.874 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -63.0 -31.39 72.51 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.591 0.356 . . . . 1.37 111.072 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.37 -31.89 12.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.105 0.562 . . . . 1.55 111.727 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 0.59 35.17 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.151 1.167 . . . . 0.83 114.151 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -82.5 -13.85 55.98 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 113.154 0.798 . . . . 1.55 113.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -73.48 -41.22 63.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.326 0.862 . . . . 1.8 113.326 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -99.06 111.26 23.7 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.589 0.589 . . . . 1.59 112.589 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.71 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.849 1.1 . . . . 0.92 115.849 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 61.82 156.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.618 0.97 . . . . 2.6 113.618 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.17 -34.04 22.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.871 0.468 . . . . 1.22 111.355 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -101.42 50.13 0.86 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.831 0.452 . . . . 1.43 110.265 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 t -155.77 141.05 17.58 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.278 -0.419 . . . . 1.09 111.536 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.32 149.27 21.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.388 0.675 . . . . 0.76 110.289 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -88.04 151.45 22.74 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.503 0.186 . . . . 0.68 111.503 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.4 -29.54 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 112.942 0.719 . . . . 0.64 112.942 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -96.29 -33.04 12.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.052 0.389 . . . . 0.82 112.052 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.24 -41.67 69.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.174 0.435 . . . . 1.54 112.174 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -34.83 79.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.737 0.244 . . . . 0.65 110.962 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -64.73 -41.96 95.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.02 0.528 . . . . 0.87 111.047 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.2 -27.98 64.93 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.215 0.322 . . . . 0.73 111.65 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 20' ' ' PHE . 24.3 tp -67.79 -37.39 81.97 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.666 0.386 . . . . 0.65 111.271 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.02 -26.79 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.55 0.34 . . . . 0.45 111.707 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -104.65 21.99 15.86 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.416 0.524 . . . . 0.8 112.416 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -139.81 -62.42 0.52 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.307 0.503 . . . . 1.1 111.766 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -106.17 1.16 25.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.851 0.686 . . . . 0.84 112.851 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.84 45.04 0.64 Allowed Pre-proline 0 CA--C 1.562 1.415 0 N-CA-C 112.02 0.378 . . . . 0.67 112.02 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.22 -36.22 0.3 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.065 1.843 . . . . 0.52 114.377 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -72.23 -35.34 68.82 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.645 0.378 . . . . 0.85 111.949 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.46 -57.25 9.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.551 0.34 . . . . 0.87 110.747 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -102.4 95.85 6.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.589 -0.893 . . . . 0.73 108.589 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -56.49 -28.83 60.82 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.131 0.789 . . . . 1.32 113.131 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -84.61 85.68 7.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.392 0.277 . . . . 2.08 111.303 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.0 -37.35 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.186 -0.461 . . . . 0.71 110.376 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.09 -30.19 23.52 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 112.029 -0.429 . . . . 0.83 112.029 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -95.81 50.94 1.23 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.033 0.533 . . . . 0.85 110.32 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -88.74 -21.16 23.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.974 0.51 . . . . 1.22 111.102 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -53.1 -34.09 55.1 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.886 0.698 . . . . 0.77 112.886 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.04 -40.46 96.35 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.162 0.185 . . . . 1.09 110.888 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -77.59 -40.71 41.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.837 0.455 . . . . 1.55 111.097 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -57.53 -38.85 75.36 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 0.84 111.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -61.99 -35.31 78.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.574 0.35 . . . . 2.56 111.762 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -75.2 -29.73 60.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.747 0.419 . . . . 0.61 111.839 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.61 HD22 ' HA ' ' A' ' 76' ' ' TYR . 47.7 mt -73.51 -53.47 10.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.387 0.275 . . . . 0.68 111.086 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.45 78.6 4.91 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.957 0.408 . . . . 1.39 111.137 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.56 -36.91 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 115.884 -0.598 . . . . 0.73 110.796 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.12 -29.8 64.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.992 0.517 . . . . 1.44 110.977 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.34 71.54 0.53 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.307 1.043 . . . . 1.96 111.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -142.83 15.77 1.95 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.747 -0.66 . . . . 1.41 111.77 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t 60.33 28.18 17.78 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.643 0.777 . . . . 1.31 112.286 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -140.56 131.52 26.12 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.952 0.501 . . . . 2.42 110.186 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mp -108.63 86.51 2.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.546 0.202 . . . . 0.95 111.546 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -69.66 172.69 7.07 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.012 -0.736 . . . . 1.89 109.012 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' B' ' 84' ' ' ALA . 1.0 OUTLIER -69.7 -24.86 63.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.451 0.568 . . . . 1.2 111.773 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -71.77 -29.41 64.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 109.561 -0.533 . . . . 0.98 109.561 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -89.32 -42.04 11.8 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.708 0.803 . . . . 1.03 110.415 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.61 ' HA ' HD22 ' A' ' 63' ' ' LEU . 51.6 t80 -72.19 -11.4 60.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.528 0.731 . . . . 0.69 111.954 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -26.47 13.74 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.846 0.859 . . . . 1.62 113.082 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HB2' HD23 ' A' ' 63' ' ' LEU . 51.3 mmm-85 -68.17 -38.61 82.25 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.077 0.399 . . . . 1.96 111.497 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' A' ' 63' ' ' LEU . 11.9 tp -80.83 -23.24 39.31 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 119.801 -0.142 . . . . 0.53 110.838 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.0 mm -67.1 -37.54 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.663 -0.495 . . . . 0.61 109.663 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.05 -39.29 73.73 Favored Glycine 0 C--N 1.354 1.553 0 N-CA-C 111.408 -0.677 . . . . 0.47 111.408 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.71 -16.26 61.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.575 0.35 . . . . 0.86 110.963 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.91 -52.1 58.26 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.263 0.625 . . . . 0.67 110.66 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.636 ' HB2' ' HB ' ' B' ' 13' ' ' ILE . . . -88.53 -8.63 54.47 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.358 0.503 . . . . 0.55 112.358 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.63 -37.26 19.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.413 0.285 . . . . 0.96 110.455 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -86.01 12.01 10.36 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.266 0.839 . . . . 1.65 113.266 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -101.51 -39.69 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 118.299 0.5 . . . . 0.66 109.904 178.383 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -101.42 -36.14 8.95 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.759 0.424 . . . . 1.74 111.781 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -130.98 75.25 1.65 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.09 0.471 . . . . 1.52 111.885 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -98.31 -53.41 3.36 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.041 -0.527 . . . . 1.87 110.049 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -113.72 51.75 0.84 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.287 -0.634 . . . . 1.53 109.287 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.11 73.94 1.74 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.441 0.639 . . . . 1.81 112.182 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -165.44 -50.99 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.525 -0.761 . . . . 1.24 110.287 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -100.7 -51.11 3.67 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.184 0.594 . . . . 1.73 110.543 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.3 pt -120.49 116.42 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.354 0.409 . . . . 1.06 110.81 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -135.71 63.64 1.59 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.898 0.38 . . . . 2.26 111.639 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -165.86 86.68 0.36 Allowed 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 116.148 -0.478 . . . . 1.74 111.804 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 115.967 -0.56 . . . . 1.71 110.274 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.05 0.389 . . . . 1.75 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 152.47 19.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.36 0.264 . . . . 0.78 111.485 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.56 121.0 27.64 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.177 -0.465 . . . . 0.69 111.981 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -105.13 141.13 21.93 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-O 119.071 -0.49 . . . . 1.1 110.332 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 140.9 94.73 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.078 2.519 . . . . 0.83 114.657 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.1 mt -136.23 -160.26 1.04 Allowed 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.427 0.691 . . . . 1.24 110.215 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -58.78 161.07 5.09 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 118.802 0.728 . . . . 1.06 111.384 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.42 -49.34 7.15 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.566 0.95 . . . . 1.51 113.566 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.56 -40.09 73.56 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 117.921 0.328 . . . . 0.65 111.449 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.94 -24.73 62.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.779 0.432 . . . . 0.95 111.532 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -87.18 -10.09 53.55 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.001 0.52 . . . . 0.85 112.387 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -60.51 -47.57 85.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.949 0.34 . . . . 0.56 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 84' ' ' ALA . 2.4 pp -85.21 -21.88 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 122.33 0.252 . . . . 0.53 111.202 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.564 ' N ' HD12 ' B' ' 13' ' ' ILE . 9.9 tm-20 -65.44 -40.04 92.8 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.232 0.613 . . . . 1.0 110.418 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -66.51 -31.67 72.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.723 0.409 . . . . 0.88 111.621 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.57 -36.29 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.359 0.264 . . . . 0.56 110.474 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -71.73 -50.75 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 122.407 0.283 . . . . 0.97 110.693 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.3 p -58.07 -37.24 74.06 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.18 1.178 . . . . 0.67 114.18 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -72.94 -31.93 64.93 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.558 0.948 . . . . 0.69 113.558 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -115.37 -3.7 12.42 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.59 1.33 . . . . 1.02 114.59 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -66.06 -36.15 82.44 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.774 1.17 . . . . 3.08 111.838 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -63.96 -35.28 80.17 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.297 0.239 . . . . 1.37 111.01 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -85.9 -25.34 26.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.79 0.436 . . . . 1.54 110.893 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.43 -20.7 62.08 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.969 0.508 . . . . 0.85 112.239 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -91.92 25.34 2.83 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.151 0.426 . . . . 1.73 112.151 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -87.07 -35.04 18.94 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.719 0.407 . . . . 1.68 110.844 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.92 -159.52 0.68 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.196 0.599 . . . . 1.45 110.35 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 145.39 46.25 Favored Glycine 0 C--N 1.358 1.776 0 CA-C-N 118.284 0.493 . . . . 0.86 114.223 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? 60.7 126.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.394 1.078 . . . . 2.62 112.534 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.34 -42.26 68.75 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.328 -0.397 . . . . 1.11 111.088 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.66 53.01 2.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.788 -0.449 . . . . 1.36 109.788 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -156.6 143.15 18.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 116.49 -0.323 . . . . 1.13 111.575 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.63 169.22 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.527 0.517 . . . . 0.79 110.387 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -105.61 159.84 15.65 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.573 0.349 . . . . 0.69 111.009 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.72 -25.51 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 N-CA-C 112.103 0.408 . . . . 0.71 112.103 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.97 -35.27 11.48 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.091 0.404 . . . . 0.83 112.091 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.83 -41.43 64.87 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.486 0.55 . . . . 1.61 112.486 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -33.12 74.88 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.928 0.331 . . . . 0.66 111.259 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -68.63 -36.79 79.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.77 0.428 . . . . 0.81 110.628 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.06 -30.77 55.71 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.667 0.387 . . . . 0.69 111.67 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.87 -34.92 79.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.668 0.387 . . . . 0.68 110.988 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.44 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 76.1 t -77.2 -25.32 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 122.914 0.485 . . . . 0.48 111.431 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 -6.72 55.28 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 113.308 0.855 . . . . 0.83 113.308 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -127.62 -51.46 1.37 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.99 0.737 . . . . 0.98 112.99 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -102.39 -8.35 21.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.146 1.165 . . . . 0.73 114.146 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.6 OUTLIER -142.29 48.32 1.07 Allowed Pre-proline 0 CA--C 1.562 1.424 0 CA-C-N 118.877 0.762 . . . . 0.62 111.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -84.53 -29.62 0.77 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.109 1.873 . . . . 0.48 114.905 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -75.22 -21.01 58.95 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.871 0.693 . . . . 0.81 112.871 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.49 -52.53 9.62 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.692 0.223 . . . . 0.88 111.052 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.6 107.45 19.9 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.916 -0.772 . . . . 0.7 108.916 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.71 66.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.332 0.864 . . . . 1.23 113.332 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -95.46 83.94 3.9 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.926 -0.398 . . . . 1.94 109.926 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -71.33 -28.92 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.177 -0.465 . . . . 0.6 112.038 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.69 -40.06 7.37 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.47 -0.628 . . . . 0.67 113.498 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -87.69 83.37 7.19 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.815 0.808 . . . . 0.92 111.215 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.1 7.51 19.69 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.612 -0.722 . . . . 1.24 110.802 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.48 -28.95 65.39 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.613 0.597 . . . . 0.73 112.613 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.21 -41.46 81.28 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.227 0.211 . . . . 1.1 111.27 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.1 -41.73 27.97 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.563 0.345 . . . . 1.47 110.945 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.1 ttp -51.88 -35.84 46.56 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.92 0.711 . . . . 0.81 112.92 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -67.57 -44.98 76.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.481 0.178 . . . . 2.39 111.481 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -72.27 -34.18 68.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.46 0.304 . . . . 0.63 111.76 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.455 ' HB3' HD23 ' B' ' 71' ' ' LEU . 28.2 mt -68.52 -55.94 10.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.176 0.191 . . . . 0.69 110.712 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.39 57.64 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.094 0.473 . . . . 1.32 110.202 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -80.65 -29.04 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 116.097 -0.502 . . . . 0.72 111.822 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -68.29 -25.08 64.96 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.026 0.53 . . . . 1.38 111.184 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 64.53 87.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.354 1.062 . . . . 2.02 112.404 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.2 35.31 0.2 Allowed 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.943 -0.571 . . . . 1.3 111.342 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m 63.21 -74.55 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.297 1.039 . . . . 1.35 113.343 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.03 142.2 45.75 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.114 0.415 . . . . 2.4 112.014 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' B' ' 63' ' ' LEU . 7.1 mp -99.94 99.68 10.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.054 -0.521 . . . . 1.13 110.766 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -67.01 175.92 2.33 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.74 -0.647 . . . . 1.81 109.295 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 84' ' ' ALA . 5.2 t80 -65.35 -25.0 67.39 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.717 1.144 . . . . 1.23 111.83 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -70.49 -34.88 72.86 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.256 -0.646 . . . . 0.99 109.256 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.03 -39.85 22.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 0.93 109.602 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.429 ' CE2' HD11 ' B' ' 80' ' ' ILE . 45.5 t80 -88.66 62.17 6.37 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.811 -1.181 . . . . 0.71 107.811 177.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -113.46 -46.37 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.365 1.066 . . . . 1.54 110.931 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -63.47 -29.37 70.66 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.98 0.733 . . . . 2.15 112.98 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -78.68 -28.72 45.3 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.012 0.369 . . . . 0.49 111.099 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.429 HD11 ' CE2' ' B' ' 76' ' ' TYR . 37.4 mm -68.72 -37.46 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.783 -0.821 . . . . 0.56 108.783 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.13 -42.01 78.17 Favored Glycine 0 C--N 1.357 1.735 0 N-CA-C 111.032 -0.827 . . . . 0.42 111.032 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.29 -26.89 64.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.89 0.476 . . . . 0.91 110.634 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.58 -51.29 70.07 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.17 0.588 . . . . 0.69 110.95 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -86.59 -15.59 39.36 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.559 0.577 . . . . 0.55 112.559 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -79.82 -44.12 21.14 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.124 0.42 . . . . 1.1 110.79 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.65 -26.38 61.63 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.207 0.447 . . . . 1.68 112.207 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -37.94 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 122.787 0.435 . . . . 0.63 111.954 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -107.68 -40.8 5.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.433 0.531 . . . . 1.64 112.433 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -124.81 69.86 1.12 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.473 0.545 . . . . 1.65 112.473 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -82.75 -41.28 19.42 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.193 -0.458 . . . . 2.03 110.505 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -139.05 63.41 1.51 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.962 -0.755 . . . . 1.36 108.962 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.76 76.41 3.39 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.229 -0.896 . . . . 1.72 113.235 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 tp -159.9 -53.07 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.695 -0.684 . . . . 1.27 110.088 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -92.91 -44.34 8.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.135 0.574 . . . . 1.61 110.095 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 pt -126.35 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.953 0.501 . . . . 1.04 110.929 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -162.57 57.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.581 0.353 . . . . 2.42 111.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -163.02 52.04 0.17 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.144 0.424 . . . . 1.86 112.144 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 40.0 tttp . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.228 -0.892 . . . . 1.85 110.245 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.415 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.442 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptt? . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.503 0.668 . . . . 2.71 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.52 135.21 18.61 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.234 -0.893 . . . . 1.02 110.174 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 108.51 19.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.071 0.148 . . . . 0.7 110.906 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.45 139.71 21.38 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 122.817 0.447 . . . . 1.02 110.892 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 134.52 46.22 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.636 2.224 . . . . 0.74 113.276 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.7 mt -134.34 -137.32 0.17 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 118.826 -0.607 . . . . 1.19 109.761 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 167.95 2.7 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 119.277 0.944 . . . . 0.98 111.392 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.48 -44.3 68.89 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.066 0.765 . . . . 1.42 113.066 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -76.34 -36.0 58.47 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.632 0.197 . . . . 0.65 111.292 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -73.77 -30.15 62.61 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.617 0.367 . . . . 1.03 111.0 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.88 -29.21 58.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.884 0.474 . . . . 0.81 110.491 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -62.47 -50.01 73.14 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 122.548 0.339 . . . . 0.63 110.531 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -72.59 -16.69 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 112.037 0.384 . . . . 0.56 112.037 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -80.95 -42.27 21.54 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.336 0.654 . . . . 1.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -59.57 -35.5 74.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.932 0.493 . . . . 0.77 112.082 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.07 -30.13 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 110.148 -0.316 . . . . 0.5 110.148 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -78.31 -64.69 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 122.807 0.443 . . . . 0.95 111.209 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -54.17 -35.76 62.65 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 115.144 1.535 . . . . 0.62 115.144 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -67.33 -42.37 83.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 113.688 0.996 . . . . 0.66 113.688 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -106.81 -19.59 13.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.21 1.189 . . . . 0.95 114.21 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.64 -20.5 65.34 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.296 0.953 . . . . 3.17 112.556 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.7 m -64.75 -35.15 80.15 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 118.181 0.446 . . . . 1.37 110.972 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -99.08 -24.66 14.81 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.173 0.589 . . . . 1.55 112.047 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.71 -23.48 42.32 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 113.147 0.795 . . . . 0.83 113.147 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.74 -17.5 64.06 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.55 0.944 . . . . 1.55 113.55 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -28.21 66.65 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.35 0.87 . . . . 1.8 113.35 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -118.74 127.18 53.31 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.751 0.649 . . . . 1.59 112.751 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.22 95.59 0.01 OUTLIER Glycine 0 C--N 1.357 1.75 0 N-CA-C 114.704 0.642 . . . . 0.92 114.704 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 60.62 169.77 0.09 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.44 0.696 . . . . 2.6 111.875 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -83.01 -59.33 2.52 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.496 -0.32 . . . . 1.22 111.428 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.14 67.19 5.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.988 0.423 . . . . 1.43 110.952 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -159.79 131.27 6.06 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.846 -0.616 . . . . 1.09 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.91 156.59 24.7 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.33 -0.248 . . . . 0.76 110.33 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -96.78 151.47 19.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.457 -0.201 . . . . 0.68 110.457 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.62 -27.94 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 112.695 0.628 . . . . 0.64 112.695 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -96.95 -33.93 11.4 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.409 0.522 . . . . 0.82 112.409 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.1 -41.96 73.34 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.188 0.44 . . . . 1.54 112.188 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -32.98 74.64 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.539 0.154 . . . . 0.65 110.938 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.06 -37.91 81.26 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.133 0.573 . . . . 0.87 111.623 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.35 -32.53 66.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.21 0.204 . . . . 0.73 111.303 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.7 -39.92 94.48 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.839 0.455 . . . . 0.65 111.914 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.35 -27.66 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 111.994 0.368 . . . . 0.45 111.994 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -102.27 21.16 15.49 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 112.158 0.429 . . . . 0.8 112.158 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -147.65 -57.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.796 -0.565 . . . . 1.1 112.461 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.18 -12.85 18.43 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.822 0.675 . . . . 0.84 112.822 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.37 48.41 1.91 Allowed Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 118.171 0.441 . . . . 0.67 111.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.91 -29.1 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.066 1.844 . . . . 0.52 114.391 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.57 -20.71 53.62 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.665 0.617 . . . . 0.85 112.665 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -73.74 -56.3 5.16 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 117.918 0.326 . . . . 0.87 110.789 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -91.1 114.77 27.38 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.836 -0.802 . . . . 0.73 108.836 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 -34.35 67.91 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.697 0.999 . . . . 1.32 113.697 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.05 89.09 3.03 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 120.936 0.398 . . . . 2.08 110.361 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.05 -28.97 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.081 -0.508 . . . . 0.71 111.837 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.58 -57.78 4.08 Favored Glycine 0 C--N 1.351 1.379 0 O-C-N 123.213 0.32 . . . . 0.83 113.048 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -85.64 88.08 7.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.766 0.317 . . . . 0.85 111.218 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.71 3.69 21.17 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.142 -0.481 . . . . 1.22 111.462 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.19 -29.02 66.92 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 112.773 0.657 . . . . 0.77 112.773 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.82 -40.01 93.8 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.683 0.22 . . . . 1.09 110.871 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -87.81 -34.85 18.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.496 0.319 . . . . 1.55 110.751 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.6 ttp -57.67 -36.96 72.61 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.547 0.339 . . . . 0.84 111.429 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -65.81 -33.5 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 122.887 0.117 . . . . 2.56 110.709 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.0 m -75.48 -28.62 59.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.408 0.283 . . . . 0.61 110.541 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 79' ' ' LEU . 72.2 mt -73.21 -61.67 1.74 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 122.414 0.286 . . . . 0.68 110.389 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -83.9 70.86 10.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.213 0.53 . . . . 1.39 109.903 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.29 -19.34 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.427 -0.806 . . . . 0.73 111.82 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -84.87 -14.38 48.03 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.248 0.462 . . . . 1.44 112.248 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 59.11 51.53 6.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.437 0.695 . . . . 1.96 111.482 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.44 2.24 12.42 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.734 -0.666 . . . . 1.41 112.078 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 t 64.02 25.97 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.385 0.674 . . . . 1.31 111.632 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -140.52 126.9 19.96 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.092 0.557 . . . . 2.42 110.0 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mp -98.47 69.76 1.93 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.991 0.424 . . . . 0.95 110.058 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -65.65 159.17 25.47 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.849 -0.614 . . . . 1.89 109.731 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.81 -30.59 61.62 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.145 1.165 . . . . 1.2 114.145 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -70.2 -32.85 70.95 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.071 0.396 . . . . 0.98 110.183 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.3 -35.17 15.42 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.379 0.672 . . . . 1.03 110.856 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.625 ' HA ' HD22 ' A' ' 63' ' ' LEU . 75.8 t80 -78.99 -2.33 39.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.264 1.025 . . . . 0.69 112.537 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.23 66.54 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.564 0.579 . . . . 1.62 112.564 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.568 ' HB2' HD23 ' A' ' 63' ' ' LEU . 23.4 mmm-85 -66.3 -31.9 72.99 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.002 0.364 . . . . 1.96 111.442 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.693 ' HB2' HD21 ' A' ' 63' ' ' LEU . 13.3 tp -81.69 -29.22 33.12 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 119.521 -0.275 . . . . 0.53 110.286 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.59 -38.78 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 109.396 -0.594 . . . . 0.61 109.396 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.83 88.94 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 111.551 -0.62 . . . . 0.47 111.551 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -76.76 -23.28 52.95 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 122.637 0.375 . . . . 0.86 110.657 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.06 -52.33 59.87 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.861 0.464 . . . . 0.67 110.243 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -75.06 -32.08 61.42 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.53 0.567 . . . . 0.55 112.53 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -75.17 -25.29 58.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.28 0.474 . . . . 0.96 112.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -99.47 33.41 2.48 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -39.86 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 122.448 0.299 . . . . 0.66 110.417 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.87 -28.06 10.85 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.244 0.461 . . . . 1.74 112.244 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -131.04 45.42 2.82 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.288 0.477 . . . . 1.52 112.288 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.02 89.53 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 122.218 -0.301 . . . . 1.87 111.611 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -127.29 67.42 1.29 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.321 -0.622 . . . . 1.53 109.321 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.99 76.52 1.69 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.175 0.512 . . . . 1.81 111.208 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -167.99 -52.25 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.885 -0.598 . . . . 1.24 110.659 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -100.27 -50.01 4.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.999 0.52 . . . . 1.73 110.806 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.2 pt -107.28 141.04 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 122.813 0.445 . . . . 1.06 111.177 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.77 38.26 0.37 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.622 0.601 . . . . 2.26 112.622 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -161.55 94.03 0.95 Allowed 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 120.878 0.371 . . . . 1.74 110.901 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 122.985 0.514 . . . . 1.71 110.741 -179.422 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 111.953 0.353 . . . . 1.75 111.953 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.94 146.92 46.13 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.12 0.568 . . . . 0.78 110.738 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.58 126.01 44.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.753 0.421 . . . . 0.69 111.135 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -118.62 145.2 36.99 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 122.965 0.506 . . . . 1.1 111.198 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -76.56 127.21 9.49 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.357 2.038 . . . . 0.83 111.393 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.3 mt -126.08 -60.37 1.28 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.723 0.409 . . . . 1.24 111.476 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -122.35 161.56 23.18 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.299 0.64 . . . . 1.06 109.862 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.44 -30.78 67.19 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.926 0.713 . . . . 1.51 112.926 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -83.55 -36.06 24.29 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 117.809 0.277 . . . . 0.65 110.997 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.46 -30.4 61.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.568 0.347 . . . . 0.95 110.976 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.41 -29.8 68.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.116 0.566 . . . . 0.85 111.234 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -59.31 -56.76 17.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.87 0.468 . . . . 0.56 111.052 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.468 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -68.69 -27.78 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 123.08 0.237 . . . . 0.53 111.429 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.468 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.7 tm-20 -68.4 -39.24 81.74 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.646 0.379 . . . . 1.0 111.413 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -60.06 -37.73 80.73 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.598 0.359 . . . . 0.88 111.203 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 51.4 t -75.21 -31.39 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 122.532 0.333 . . . . 0.56 110.235 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.402 ' O ' HG12 ' B' ' 17' ' ' VAL . 76.4 t -84.29 -1.14 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.417 0 C-N-CA 123.275 0.63 . . . . 0.97 112.097 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.2 p -119.34 -40.13 2.83 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.452 0.538 . . . . 0.67 112.452 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -72.43 -52.1 17.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.431 0.53 . . . . 0.69 112.431 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -81.97 -27.29 33.29 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.808 0.669 . . . . 1.02 112.808 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.5 -22.35 66.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.27 0.471 . . . . 3.08 112.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.3 m -64.63 -29.36 70.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.645 0.378 . . . . 1.37 110.414 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -95.95 -32.67 12.5 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.286 0.634 . . . . 1.54 111.358 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -23.74 63.82 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.037 0.754 . . . . 0.85 113.037 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -66.95 -25.72 66.48 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.076 0.769 . . . . 1.73 113.076 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -48.71 -41.94 33.44 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.363 0.665 . . . . 1.68 112.436 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -91.22 177.28 6.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.721 0.408 . . . . 1.45 110.585 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.5 150.25 21.78 Favored Glycine 0 C--N 1.355 1.628 0 N-CA-C 114.488 0.555 . . . . 0.86 114.488 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 61.77 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.062 0.945 . . . . 2.62 112.217 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -80.16 -26.55 39.28 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.579 0.214 . . . . 1.11 111.579 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -96.94 41.37 1.11 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.535 0.334 . . . . 1.36 110.457 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -146.94 139.32 24.79 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.701 0.401 . . . . 1.13 111.356 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.39 131.08 44.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.812 -0.81 . . . . 0.79 108.812 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.9 152.95 34.95 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 112.444 0.535 . . . . 0.69 112.444 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.64 -22.6 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 N-CA-C 112.753 0.649 . . . . 0.71 112.753 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -98.39 -30.65 12.44 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.333 0.494 . . . . 0.83 112.333 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.26 -32.36 49.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.857 0.688 . . . . 1.61 112.857 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.44 -37.11 82.49 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.189 0.45 . . . . 0.66 111.548 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -66.54 -35.38 80.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.483 0.313 . . . . 0.81 111.185 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -72.26 -33.99 67.9 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.533 0.333 . . . . 0.69 111.054 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.47 -35.18 78.5 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.759 0.423 . . . . 0.68 110.676 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -74.76 -32.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 122.646 0.378 . . . . 0.48 111.625 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -95.46 33.59 1.58 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 122.443 0.297 . . . . 0.83 111.748 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -162.13 -53.85 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.23 0.456 . . . . 0.98 112.23 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -107.86 -17.92 13.94 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.591 0.96 . . . . 0.73 113.591 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -127.76 39.43 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.21 -34.06 0.92 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.187 1.925 . . . . 0.48 114.696 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.95 -34.82 66.76 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.853 0.297 . . . . 0.81 111.773 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.85 -50.8 39.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.451 0.3 . . . . 0.88 110.435 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -99.17 101.28 12.57 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.528 -0.916 . . . . 0.7 108.528 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -30.16 53.06 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 113.706 1.002 . . . . 1.23 113.706 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -100.78 91.04 4.44 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 120.525 0.203 . . . . 1.94 110.54 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.18 -38.2 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.377 -0.374 . . . . 0.6 110.426 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.59 -45.11 8.08 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 120.033 -0.315 . . . . 0.67 112.442 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.3 t -83.11 79.21 9.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.042 0.449 . . . . 0.92 110.436 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 13.15 13.56 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.628 -0.714 . . . . 1.24 110.927 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.37 -29.41 37.89 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.795 0.27 . . . . 0.73 111.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.15 -38.78 87.66 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.853 0.461 . . . . 1.1 111.028 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.69 -34.03 17.35 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 119.191 -0.433 . . . . 1.47 111.531 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 60.9 ttp -56.58 -42.17 78.21 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 112.105 0.409 . . . . 0.81 112.105 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.023 0.129 . . . . 2.39 110.75 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 48.7 m -71.08 -31.1 67.4 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.771 0.428 . . . . 0.63 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' B' ' 79' ' ' LEU . 45.2 mt -74.03 -57.15 4.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.75 0.42 . . . . 0.69 110.735 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.56 68.22 7.82 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.106 0.479 . . . . 1.32 110.436 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.33 -32.77 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.847 -0.615 . . . . 0.72 110.864 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -69.83 -36.1 75.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.824 0.449 . . . . 1.38 111.12 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 67.08 98.89 0.05 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.608 0.763 . . . . 2.02 111.394 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.93 -65.88 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.27 -0.423 . . . . 1.3 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -178.96 -55.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.579 0.752 . . . . 1.35 110.103 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -106.51 165.62 11.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.003 0.521 . . . . 2.4 110.119 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.09 100.71 11.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.676 0.39 . . . . 1.13 110.762 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -67.02 155.2 39.28 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.817 -0.438 . . . . 1.81 109.817 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.15 -29.31 67.33 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.246 0.461 . . . . 1.23 112.246 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -69.6 -23.01 63.46 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.552 0.341 . . . . 0.99 110.985 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -106.89 -8.44 16.68 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.727 0.811 . . . . 0.93 111.579 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.599 ' HA ' HD22 ' B' ' 63' ' ' LEU . 43.5 t80 -97.84 -12.07 22.56 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 112.725 0.639 . . . . 0.71 112.725 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -17.56 14.18 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.956 1.095 . . . . 1.54 113.956 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.548 ' HB2' HD23 ' B' ' 63' ' ' LEU . 17.8 mmm-85 -67.74 -32.31 72.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.165 0.439 . . . . 2.15 111.513 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.654 ' HB2' HD21 ' B' ' 63' ' ' LEU . 11.4 tp -84.98 -35.74 21.8 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.699 -0.482 . . . . 0.49 109.699 178.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.6 -35.68 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 109.502 -0.555 . . . . 0.56 109.502 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.57 -36.51 58.69 Favored Glycine 0 C--N 1.358 1.784 0 N-CA-C 111.461 -0.656 . . . . 0.42 111.461 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.43 -30.07 66.83 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.163 0.585 . . . . 0.91 110.917 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.1 -58.67 7.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.081 0.552 . . . . 0.69 110.786 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.35 -23.38 61.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.734 0.642 . . . . 0.55 112.734 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.79 -29.84 45.15 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.024 0.374 . . . . 1.1 110.884 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.91 29.71 2.03 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.132 0.419 . . . . 1.68 112.132 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.85 -37.87 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.264 -0.643 . . . . 0.63 109.264 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -38.73 6.02 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 122.758 0.423 . . . . 1.64 111.478 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.25 52.14 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.945 0.72 . . . . 1.65 112.945 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 122.028 -0.42 . . . . 2.03 111.081 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -145.58 63.59 1.26 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 108.866 -0.79 . . . . 1.36 108.866 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.63 88.23 0.35 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.832 -0.622 . . . . 1.72 112.672 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.3 tp -166.51 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.355 -0.839 . . . . 1.27 110.15 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -105.79 -34.09 7.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.04 0.536 . . . . 1.61 111.115 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.22 94.96 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.963 0.505 . . . . 1.04 110.488 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -110.35 16.12 21.84 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.909 0.707 . . . . 2.42 112.909 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -154.2 117.99 4.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.089 0.404 . . . . 1.86 111.811 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 tttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.217 -0.897 . . . . 1.85 110.421 179.045 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.501 2.105 0 N-CA-C 112.178 0.436 . . . . 2.71 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.06 158.84 15.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 122.939 0.495 . . . . 1.02 110.97 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.21 150.08 24.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 112.172 0.434 . . . . 0.7 112.172 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.37 145.25 28.41 Favored Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.963 0.505 . . . . 1.02 111.15 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.07 143.15 53.15 Favored 'Trans proline' 0 C--N 1.384 2.41 0 C-N-CA 122.792 2.328 . . . . 0.74 113.284 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.1 mt -142.17 -47.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.507 0.558 . . . . 1.19 112.507 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -142.93 168.46 19.65 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.881 0.473 . . . . 0.98 110.397 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -52.66 -47.02 67.42 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 112.75 0.648 . . . . 1.42 112.75 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 HD21 ' B' ' 41' ' ' LEU . 73.6 mt -77.53 -40.46 42.56 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 111.754 0.279 . . . . 0.65 111.754 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.58 -35.56 80.89 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.538 0.154 . . . . 1.03 111.067 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.6 -31.07 64.91 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.266 0.354 . . . . 0.81 111.317 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.9 m -60.31 -53.0 62.84 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.344 0.258 . . . . 0.63 111.593 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.24 -14.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 112.206 0.447 . . . . 0.56 112.206 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -34.25 20.39 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.611 0.764 . . . . 1.0 110.954 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -59.99 -32.38 70.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.606 0.362 . . . . 0.77 111.177 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.97 -27.09 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 110.189 -0.3 . . . . 0.5 110.189 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 t -81.72 -65.47 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.143 0.577 . . . . 0.95 110.556 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.495 HG22 HAEB ' A' ' 99' ' ' ANW . 69.0 p -56.99 -27.48 61.53 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.962 1.467 . . . . 0.62 114.962 -177.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -77.77 -49.02 15.2 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.814 0.672 . . . . 0.66 112.814 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -97.67 -7.22 31.41 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.694 1.368 . . . . 0.95 114.694 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.16 -18.56 62.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.445 1.02 . . . . 3.17 112.426 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -63.13 -33.99 76.65 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 117.836 0.289 . . . . 1.37 110.678 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -91.62 -38.65 12.33 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.785 0.434 . . . . 1.55 110.815 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.12 -34.4 68.32 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 113.049 0.759 . . . . 0.83 113.049 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -71.71 -16.38 62.23 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.34 0.866 . . . . 1.55 113.34 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.61 -56.01 27.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.454 0.538 . . . . 1.8 112.454 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -128.59 141.49 51.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 111.723 0.268 . . . . 1.59 111.723 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.74 67.19 1.83 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-O 119.803 -0.443 . . . . 0.92 113.74 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 64.31 171.08 0.18 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.568 0.747 . . . . 2.6 111.755 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -85.26 -49.73 7.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.886 0.475 . . . . 1.22 111.226 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -76.69 -25.5 53.73 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.228 0.455 . . . . 1.43 112.228 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.2 145.44 25.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.656 0.613 . . . . 1.09 112.656 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.46 159.13 15.38 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.45 0.7 . . . . 0.76 109.744 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -86.28 157.72 19.86 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.701 -0.227 . . . . 0.68 110.745 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.09 -30.92 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 113.156 0.798 . . . . 0.64 113.156 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.39 -29.32 19.16 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 111.993 0.368 . . . . 0.82 111.993 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.94 -40.78 91.69 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.379 0.881 . . . . 1.54 113.379 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -67.31 -30.8 70.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.083 0.402 . . . . 0.65 111.37 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.78 -39.3 84.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 110.319 -0.252 . . . . 0.87 110.319 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.95 -29.6 66.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.628 0.371 . . . . 0.73 110.774 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.562 HD11 HD13 ' B' ' 9' ' ' LEU . 56.3 tp -66.15 -39.41 89.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.364 0.666 . . . . 0.65 111.522 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.71 -28.79 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 119.399 -0.334 . . . . 0.45 111.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -101.13 35.8 2.14 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.085 0.402 . . . . 0.8 111.874 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -156.83 -58.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.125 -0.36 . . . . 1.1 111.69 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -110.28 -9.15 14.66 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.967 0.729 . . . . 0.84 112.967 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -130.69 34.88 0.28 Allowed Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 112.588 0.588 . . . . 0.67 112.588 179.679 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 94.7 Cg_endo -76.98 -36.32 1.49 Allowed 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 122.216 1.944 . . . . 0.52 114.662 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.05 -29.99 63.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 111.857 0.317 . . . . 0.85 111.857 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.48 -52.91 18.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.515 0.326 . . . . 0.87 111.058 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.78 107.25 18.77 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.273 0.358 . . . . 0.73 110.34 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -55.78 -33.72 64.63 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.06 0.544 . . . . 1.32 112.393 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.68 79.83 8.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 109.748 -0.464 . . . . 2.08 109.748 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.37 -40.88 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.328 -0.396 . . . . 0.71 111.424 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.66 -25.07 11.09 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-O 119.634 -0.537 . . . . 0.83 113.273 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 t -90.01 67.57 7.08 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 117.597 0.699 . . . . 0.85 111.053 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.03 -7.11 33.7 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.672 -0.695 . . . . 1.22 111.239 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.88 -30.66 70.29 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.994 0.739 . . . . 0.77 112.994 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.55 -40.84 89.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.377 0.271 . . . . 1.09 110.68 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.54 -27.71 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.268 0.627 . . . . 1.55 111.47 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.4 ttp -60.25 -41.28 92.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.118 0.567 . . . . 0.84 112.292 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.66 -33.99 77.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 117.813 0.279 . . . . 2.56 111.062 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -79.13 -32.64 44.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.61 110.563 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 79' ' ' LEU . 28.0 mt -69.89 -54.71 12.2 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.62 0.768 . . . . 0.68 111.151 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -91.8 57.14 3.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 122.912 0.485 . . . . 1.39 110.505 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.77 -27.02 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 116.04 -0.527 . . . . 0.73 110.956 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.57 -32.17 71.89 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.913 0.485 . . . . 1.44 110.13 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 65.37 59.71 0.79 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 124.308 1.043 . . . . 1.96 112.163 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.37 -0.07 5.67 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.611 -0.722 . . . . 1.41 111.802 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t 80.03 -31.1 0.13 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.28 1.032 . . . . 1.31 112.843 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.31 111.46 23.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 122.739 0.415 . . . . 2.42 110.215 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.49 93.82 5.48 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.565 0.222 . . . . 0.95 111.02 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -70.93 167.54 18.86 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.645 -0.502 . . . . 1.89 109.645 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -30.06 70.52 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.649 0.658 . . . . 1.2 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -68.59 -36.41 78.68 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 122.738 0.415 . . . . 0.98 110.108 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -87.92 -24.91 23.47 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.823 0.449 . . . . 1.03 111.034 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -83.74 -12.05 56.31 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.906 0.882 . . . . 0.69 110.77 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -27.25 64.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.12 0.968 . . . . 1.62 112.16 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -62.86 -30.88 71.85 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.152 0.181 . . . . 1.96 111.255 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.48 ' HB2' HD21 ' A' ' 63' ' ' LEU . 17.0 tp -84.66 -35.26 22.74 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 119.358 -0.353 . . . . 0.53 110.762 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.96 -40.19 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 122.474 0.31 . . . . 0.61 110.394 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.41 -38.34 86.83 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.581 -0.607 . . . . 0.47 111.581 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.16 -27.44 65.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 122.753 0.421 . . . . 0.86 111.51 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.79 -59.23 5.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.819 0.448 . . . . 0.67 110.803 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -71.83 -28.61 63.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.627 0.371 . . . . 0.55 111.483 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.53 -26.45 64.52 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.21 0.204 . . . . 0.96 110.75 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.5 34.9 3.4 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 122.75 0.42 . . . . 1.65 111.847 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.434 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -105.51 -41.47 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.815 -0.439 . . . . 0.66 109.815 177.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -35.05 5.29 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.91 0.484 . . . . 1.74 111.985 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -118.25 39.49 3.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 111.914 0.339 . . . . 1.52 111.914 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -61.1 -41.11 96.07 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 120.493 0.187 . . . . 1.87 110.926 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -136.28 57.37 1.78 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.933 -0.765 . . . . 1.53 108.933 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -70.75 78.9 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 121.492 0.663 . . . . 1.81 111.899 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -169.95 -49.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.243 -0.89 . . . . 1.24 109.801 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -91.77 -43.03 9.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.071 0.548 . . . . 1.73 110.266 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 pt -134.91 134.63 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.231 0.612 . . . . 1.06 110.3 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -150.04 44.34 0.9 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.365 0.506 . . . . 2.26 112.365 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -162.02 107.45 1.26 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.402 -0.363 . . . . 1.74 110.636 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.241 0.543 . . . . 1.71 110.499 179.727 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.552 1.053 0 N-CA-C 112.127 0.417 . . . . 1.75 112.127 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.01 130.83 50.77 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.995 0.518 . . . . 0.78 110.672 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.408 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -87.95 115.29 25.31 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.054 0.221 . . . . 0.69 111.414 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.62 144.28 27.85 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 122.899 0.48 . . . . 1.1 111.003 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.25 138.29 60.43 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.514 2.143 . . . . 0.83 113.514 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.8 mt -134.16 -136.58 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.223 0.609 . . . . 1.24 109.967 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -66.77 169.69 7.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 119.141 0.882 . . . . 1.06 111.079 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -51.47 -49.74 61.2 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.3 0.852 . . . . 1.51 113.3 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.562 HD13 HD11 ' A' ' 41' ' ' LEU . 79.1 mt -74.84 -34.54 62.32 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.936 0.347 . . . . 0.65 111.936 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -71.08 -35.53 71.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.425 0.29 . . . . 0.95 110.639 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.7 -24.7 53.14 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.371 0.668 . . . . 0.85 111.895 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -60.15 -54.47 45.49 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.845 0.293 . . . . 0.56 111.359 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -70.39 -27.82 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.324 0.249 . . . . 0.53 111.415 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.408 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 2.2 tm-20 -68.17 -38.03 81.63 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 122.911 0.484 . . . . 1.0 111.029 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 36.6 m -59.49 -31.98 69.85 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.731 0.413 . . . . 0.88 111.54 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.98 -36.56 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.72 -0.474 . . . . 0.56 109.72 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.84 -39.83 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.739 0.416 . . . . 0.97 111.086 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -71.66 -35.09 70.22 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.062 0.764 . . . . 0.67 113.062 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -76.14 -42.65 46.12 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.498 -0.287 . . . . 0.69 111.346 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.86 60.91 0.79 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 121.048 0.452 . . . . 1.02 110.919 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -119.81 -40.96 2.7 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.942 -0.572 . . . . 3.08 109.914 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -64.32 -33.3 75.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 1.37 111.605 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.67 -35.38 20.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.914 0.486 . . . . 1.54 110.912 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.15 67.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.431 0.9 . . . . 0.85 113.431 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -75.56 -17.04 60.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.363 0.875 . . . . 1.73 113.363 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.614 0.598 . . . . 1.68 112.614 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -100.62 -176.37 3.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.376 . . . . 1.45 110.68 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.92 136.2 10.24 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.171 0.428 . . . . 0.86 114.171 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 65.24 128.58 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.164 0.986 . . . . 2.62 112.017 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -63.3 -49.4 74.14 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.843 0.457 . . . . 1.11 112.214 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.63 56.1 2.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.523 0.329 . . . . 1.36 111.019 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -152.69 135.94 15.78 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.008 0.373 . . . . 1.13 112.008 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.68 146.49 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.716 -0.674 . . . . 0.79 110.301 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -89.72 161.47 16.05 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.453 0.168 . . . . 0.69 111.055 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.43 -30.82 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 112.593 0.59 . . . . 0.71 112.593 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -95.3 -34.11 12.3 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.666 0.386 . . . . 0.83 111.968 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.52 -34.68 72.58 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.851 0.686 . . . . 1.61 112.851 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -37.26 68.36 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 117.694 0.225 . . . . 0.66 111.213 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.4 -34.56 78.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.495 0.318 . . . . 0.81 111.637 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.586 0.354 . . . . 0.69 111.369 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.431 HD21 HD13 ' A' ' 9' ' ' LEU . 6.3 tp -68.47 -35.9 78.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.763 0.425 . . . . 0.68 110.76 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.06 -30.8 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.212 0.605 . . . . 0.48 111.722 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.19 20.65 13.13 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.535 0.569 . . . . 0.83 112.535 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -146.48 -64.03 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.343 0.497 . . . . 0.98 112.343 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -99.31 -12.52 20.26 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.417 0.895 . . . . 0.73 113.417 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -132.53 48.21 3.35 Favored Pre-proline 0 CA--C 1.564 1.518 0 CA-C-N 118.231 0.469 . . . . 0.62 111.922 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -83.26 -34.89 0.29 Allowed 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.479 2.12 . . . . 0.48 114.713 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -83.56 -8.07 59.4 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.005 0.743 . . . . 0.81 113.005 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.79 -54.99 4.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.257 0.48 . . . . 0.88 110.106 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.2 mt -94.44 108.71 20.63 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.283 -1.006 . . . . 0.7 108.283 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.64 -30.65 61.33 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.835 1.05 . . . . 1.23 113.835 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -104.75 83.01 1.96 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.098 -0.334 . . . . 1.94 110.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.65 -25.41 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 112.413 0.523 . . . . 0.6 112.413 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.27 -60.48 2.52 Favored Glycine 0 C--N 1.351 1.381 0 C-N-CA 121.454 -0.403 . . . . 0.67 112.656 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -82.81 80.68 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.89 0.376 . . . . 0.92 111.245 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -3.58 51.86 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.345 -0.389 . . . . 1.24 111.696 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.16 -34.45 66.19 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.566 0.58 . . . . 0.73 112.566 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.19 -36.33 82.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.057 0.143 . . . . 1.1 111.04 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -107.74 40.75 1.65 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.64 0.376 . . . . 1.47 110.293 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -131.12 -46.81 1.01 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.238 0.615 . . . . 0.81 110.531 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -67.84 -38.21 82.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.511 0.324 . . . . 2.39 110.78 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.9 m -67.44 -28.6 68.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.517 0.327 . . . . 0.63 111.875 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.39 -56.88 4.47 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.846 -0.427 . . . . 0.69 109.846 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.56 74.42 6.77 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.519 -0.549 . . . . 1.32 109.519 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 p -83.81 -18.75 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 CA-C-N 116.016 -0.538 . . . . 0.72 111.83 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -77.96 -22.26 49.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.18 0.437 . . . . 1.38 112.18 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 61.47 63.65 1.16 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.696 0.799 . . . . 2.02 111.598 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -131.6 5.74 4.35 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.311 -0.859 . . . . 1.3 111.462 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t 64.75 29.47 12.74 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 123.535 0.734 . . . . 1.35 112.287 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.27 130.65 25.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.672 0.389 . . . . 2.4 110.047 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.42 79.72 1.26 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.97 0.414 . . . . 1.13 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -70.25 174.39 5.63 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.61 -0.885 . . . . 1.81 108.61 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.4 -22.99 65.49 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.418 1.008 . . . . 1.23 111.475 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -74.12 -37.02 64.22 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.027 0.531 . . . . 0.99 110.141 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.33 -48.57 11.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.239 0.616 . . . . 0.93 109.878 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.18 -19.71 55.25 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.082 0.953 . . . . 0.71 111.229 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -36.37 -48.96 0.68 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.013 1.725 . . . . 1.54 114.309 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -62.11 -33.23 74.05 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.738 0.644 . . . . 2.15 112.738 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -73.99 -35.33 64.44 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.101 0.41 . . . . 0.49 110.397 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.38 -40.69 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.074 0.55 . . . . 0.56 110.576 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.33 -36.24 92.47 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 121.305 -0.474 . . . . 0.42 112.028 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -76.28 -24.22 54.42 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 119.243 -0.408 . . . . 0.91 111.939 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.25 -47.96 80.22 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.957 0.344 . . . . 0.69 110.537 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.57 -15.29 52.81 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.556 0.576 . . . . 0.55 112.556 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -83.8 -43.31 15.54 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.684 0.394 . . . . 1.1 111.717 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.69 -23.23 49.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.03 0.752 . . . . 1.68 113.03 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.529 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -64.42 -36.46 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 118.271 0.487 . . . . 0.63 111.542 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -93.08 -40.2 10.65 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.356 0.502 . . . . 1.64 112.356 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.69 71.57 1.45 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 112.872 0.693 . . . . 1.65 112.872 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -73.5 -42.07 62.3 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.816 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -135.04 73.96 1.5 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.002 -0.74 . . . . 1.36 109.002 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.92 -31.2 70.73 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.735 0.643 . . . . 1.72 112.735 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 mp -74.99 -41.67 59.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.438 0.295 . . . . 1.27 111.678 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -81.94 -64.16 1.24 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.941 0.348 . . . . 1.61 111.941 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 pt -109.86 149.1 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 111.933 0.346 . . . . 1.04 111.933 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -135.93 12.56 3.37 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 113.046 0.758 . . . . 2.42 113.046 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -153.46 102.5 2.58 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.418 0.553 . . . . 1.86 111.445 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.262 -0.875 . . . . 1.85 110.252 179.459 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.495 HAEB HG22 ' A' ' 18' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.455 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptm . . . . . 0 N--CA 1.499 2.025 0 N-CA-C 113.194 0.813 . . . . 2.71 113.194 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 143.24 47.33 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.101 0.41 . . . . 1.02 111.463 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.98 128.9 39.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.198 -0.455 . . . . 0.7 111.37 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -123.44 135.92 26.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 123.026 0.531 . . . . 1.02 111.194 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.06 136.42 76.52 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.623 2.215 . . . . 0.74 113.342 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -138.53 -155.39 0.59 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 123.244 0.618 . . . . 1.19 109.653 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -59.61 176.22 0.29 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 118.757 0.708 . . . . 0.98 111.957 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -57.02 -44.6 83.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.325 0.861 . . . . 1.42 113.325 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.75 -37.87 55.18 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.185 0.448 . . . . 0.65 111.035 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.43 -20.36 61.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.399 0.28 . . . . 1.03 111.622 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -87.73 -25.72 23.3 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.034 0.533 . . . . 0.81 110.716 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -58.5 -56.47 21.77 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.451 0.301 . . . . 0.63 110.97 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 14' ' ' GLU . 2.6 pp -70.29 -25.49 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 O-C-N 122.915 0.134 . . . . 0.56 111.1 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 13' ' ' ILE . 10.4 tm-20 -70.94 -36.78 72.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 1.0 111.056 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.29 -29.52 70.83 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.436 0.294 . . . . 0.77 110.771 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.0 t -72.6 -30.26 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.03 0.532 . . . . 0.5 110.693 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 t -101.38 38.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 122.931 0.492 . . . . 0.95 110.614 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -143.23 -52.11 0.36 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.874 0.47 . . . . 0.62 111.087 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -67.06 -41.51 86.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.435 0.294 . . . . 0.66 111.301 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -109.13 37.68 2.5 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 122.43 0.292 . . . . 0.95 111.306 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -95.13 -35.03 12.05 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.038 -0.356 . . . . 3.17 110.038 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 m -71.63 -30.17 65.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.06 0.544 . . . . 1.37 111.251 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.11 -30.79 22.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.837 0.455 . . . . 1.55 111.993 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.89 -14.98 61.6 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.261 0.837 . . . . 0.83 113.261 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -93.49 11.53 28.22 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.76 1.022 . . . . 1.55 113.76 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -73.55 -40.86 63.64 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.045 0.384 . . . . 1.8 111.084 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -97.28 -171.64 2.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.988 0.515 . . . . 1.59 110.258 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.0 148.51 13.03 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 114.04 0.376 . . . . 0.92 114.04 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 66.76 137.18 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.159 0.984 . . . . 2.6 112.159 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -77.38 -35.92 54.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.103 0.561 . . . . 1.22 111.765 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -107.58 55.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.002 0.43 . . . . 1.43 110.204 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -147.95 139.96 24.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.992 -0.549 . . . . 1.09 111.059 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mp -98.68 140.6 32.66 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.81 -0.441 . . . . 0.76 109.81 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -80.22 152.45 29.11 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.164 0.186 . . . . 0.68 111.34 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.86 -32.37 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 112.327 0.491 . . . . 0.64 112.327 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -90.06 -35.11 15.66 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.556 0.342 . . . . 0.82 111.802 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.58 -40.91 73.01 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.117 0.414 . . . . 1.54 112.117 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -32.24 69.34 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.821 0.282 . . . . 0.65 110.567 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -60.31 -34.24 73.52 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.996 0.518 . . . . 0.87 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.53 -29.04 37.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.88 0.472 . . . . 0.73 111.526 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.75 -33.77 74.47 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.533 0.333 . . . . 0.65 111.746 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.9 -20.32 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 122.608 0.363 . . . . 0.45 111.085 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -91.52 -28.76 17.38 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 112.625 0.602 . . . . 0.8 112.625 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -105.15 -53.76 2.6 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.487 0.921 . . . . 1.1 113.487 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -94.68 -12.45 27.28 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.664 0.987 . . . . 0.84 113.664 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.57 42.62 0.92 Allowed Pre-proline 0 CA--C 1.566 1.574 0 CA-C-N 118.443 0.565 . . . . 0.67 112.239 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.74 -38.65 0.46 Allowed 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 122.066 1.844 . . . . 0.52 114.313 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -80.85 -16.2 54.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.627 0.603 . . . . 0.85 112.627 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.81 -67.21 0.77 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.961 -0.385 . . . . 0.87 109.961 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.77 106.33 18.44 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.212 -1.033 . . . . 0.73 108.212 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -22.75 61.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.125 0.787 . . . . 1.32 113.125 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -82.53 70.61 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.964 0.411 . . . . 2.08 110.267 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.9 -36.41 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 CA-C-N 116.168 -0.469 . . . . 0.71 112.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.23 -54.7 3.09 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.945 -0.364 . . . . 0.83 112.766 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -81.48 80.06 7.95 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.74 -0.467 . . . . 0.85 109.74 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.15 67.46 0.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.721 -0.672 . . . . 1.22 109.383 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 -42.28 1.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.305 -0.861 . . . . 0.77 111.428 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.39 -36.31 83.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.727 0.24 . . . . 1.09 110.959 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -101.5 30.42 4.28 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.502 0.321 . . . . 1.55 111.091 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.6 ttp -120.8 -48.04 2.28 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.459 -0.571 . . . . 0.84 109.459 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.81 -33.0 58.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.845 0.458 . . . . 2.56 110.792 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.9 m -63.11 -28.99 70.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.524 0.33 . . . . 0.61 111.071 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.37 -57.62 3.68 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 109.475 -0.565 . . . . 0.68 109.475 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -88.58 76.76 8.1 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.208 0.528 . . . . 1.39 110.547 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.12 -10.12 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.53 -0.759 . . . . 0.73 112.056 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.2 -19.13 27.3 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.373 0.669 . . . . 1.44 111.832 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 63.58 76.08 0.37 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 123.818 0.847 . . . . 1.96 111.771 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 22.63 1.99 Allowed 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.822 -0.626 . . . . 1.41 111.84 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 t 66.62 -61.14 0.32 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.52 1.128 . . . . 1.31 113.185 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.83 144.82 36.72 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.112 0.415 . . . . 2.42 111.076 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.25 92.24 4.64 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 123.322 0.389 . . . . 0.95 110.151 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -62.77 162.18 11.32 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.281 -0.637 . . . . 1.89 109.281 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -24.06 48.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.127 0.876 . . . . 1.2 111.887 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.06 -31.46 67.89 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 109.939 -0.393 . . . . 0.98 109.939 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.55 -45.81 12.21 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 108.948 -0.76 . . . . 1.03 108.948 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.73 -20.63 63.72 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.678 0.791 . . . . 0.69 111.143 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -43.66 -44.63 6.51 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.775 1.63 . . . . 1.62 112.68 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -62.81 -31.15 72.07 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.003 0.742 . . . . 1.96 113.003 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.7 -33.12 41.26 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 119.489 -0.291 . . . . 0.53 111.336 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.87 -33.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 110.2 -0.296 . . . . 0.61 110.2 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.5 95.33 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.952 -0.459 . . . . 0.47 111.952 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.16 -26.77 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.873 0.469 . . . . 0.86 111.409 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.5 -54.27 48.55 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.602 0.361 . . . . 0.67 111.056 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 87' ' ' ILE . . . -80.64 -21.69 41.21 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.214 0.82 . . . . 0.55 113.214 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -80.54 -36.6 32.85 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.047 0.385 . . . . 0.96 111.012 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -95.55 33.45 1.62 Allowed 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 112.049 0.388 . . . . 1.65 112.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -102.66 -43.33 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.531 0.333 . . . . 0.66 110.238 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -37.68 7.69 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 112.225 0.454 . . . . 1.74 112.225 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -124.56 58.0 1.23 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 111.958 0.355 . . . . 1.52 111.958 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -33.69 76.5 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 110.224 -0.287 . . . . 1.87 110.224 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -142.53 77.32 1.57 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.043 -1.095 . . . . 1.53 108.043 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.5 -33.73 70.14 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.224 0.824 . . . . 1.81 113.224 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -73.24 -26.95 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.665 0.616 . . . . 1.24 112.665 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -102.7 -57.62 2.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.412 0.285 . . . . 1.73 111.426 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.3 pt -113.71 124.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.0 0.52 . . . . 1.06 111.605 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -143.08 42.41 1.54 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.297 -0.41 . . . . 2.26 111.334 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -158.16 89.0 0.97 Allowed 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.813 0.339 . . . . 1.74 111.537 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.4 mttp . . . . . 0 N--CA 1.475 0.803 0 CA-C-N 116.182 -0.463 . . . . 1.71 110.657 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptt? . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 112.157 0.429 . . . . 1.75 112.157 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.31 141.83 35.24 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 122.69 0.396 . . . . 0.78 111.487 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.451 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -85.39 121.61 28.35 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.384 -0.371 . . . . 0.69 110.763 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -124.85 143.71 44.61 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.824 0.45 . . . . 1.1 111.265 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.88 147.92 49.11 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.459 2.772 . . . . 0.83 114.385 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 mt -141.79 -60.46 0.47 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.564 0.346 . . . . 1.24 111.931 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.418 HG22 ' H ' ' B' ' 8' ' ' GLU . 1.9 m -142.69 173.43 11.54 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.137 0.575 . . . . 1.06 110.437 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.418 ' H ' HG22 ' B' ' 7' ' ' THR . 43.1 mt-10 -49.03 -53.97 17.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.83 1.048 . . . . 1.51 113.83 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.67 -33.74 35.29 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.35 0.5 . . . . 0.65 112.35 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.98 -26.62 64.17 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.833 0.288 . . . . 0.95 111.322 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.2 -32.02 30.06 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.186 0.594 . . . . 0.85 111.216 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -55.66 -60.44 3.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.61 0.364 . . . . 0.56 111.209 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.74 -26.85 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 111.939 0.348 . . . . 0.53 111.939 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.451 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 2.3 tm-20 -73.31 -36.18 66.2 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.098 0.559 . . . . 1.0 111.634 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 84.8 m -57.55 -31.64 66.3 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.724 0.41 . . . . 0.88 112.085 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.66 -28.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.216 0.206 . . . . 0.56 110.702 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -94.02 33.01 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.526 0 C-N-CA 122.744 0.417 . . . . 0.97 110.893 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.472 HG22 HACB ' B' ' 99' ' ' ANW . 40.3 p -148.45 -45.28 0.15 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.005 0.522 . . . . 0.67 112.164 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -64.11 -66.26 0.57 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.254 0.464 . . . . 0.69 112.254 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.49 -8.72 49.67 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.486 0.55 . . . . 1.02 112.486 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -75.94 -8.9 58.02 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.521 0.601 . . . . 3.08 112.513 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 m -70.73 -34.57 72.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.3 -0.63 . . . . 1.37 109.3 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -89.61 -30.92 17.82 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.514 0.726 . . . . 1.54 110.902 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.42 69.18 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.14 0.793 . . . . 0.85 113.14 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -83.7 8.14 15.44 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.651 0.611 . . . . 1.73 112.651 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -78.8 -35.2 44.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.705 0.402 . . . . 1.68 110.782 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.9 -168.81 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.965 0.506 . . . . 1.45 110.254 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.75 135.45 25.04 Favored Glycine 0 C--N 1.36 1.878 0 N-CA-C 114.335 0.494 . . . . 0.86 114.335 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? 63.12 131.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.125 0.97 . . . . 2.62 112.173 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -71.48 -38.29 71.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.631 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -98.7 53.98 1.02 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.013 0.525 . . . . 1.36 109.908 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.5 t -159.54 142.04 13.74 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.235 -0.439 . . . . 1.13 112.129 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.32 153.34 18.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.892 0.477 . . . . 0.79 109.934 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -86.18 159.46 19.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.338 0.255 . . . . 0.69 110.605 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.77 -26.01 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 112.786 0.661 . . . . 0.71 112.786 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -95.13 -32.24 13.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.651 0.38 . . . . 0.83 111.49 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.06 -43.9 77.55 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.761 0.652 . . . . 1.61 112.761 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.28 -34.97 78.83 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 111.919 0.34 . . . . 0.66 111.919 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.74 -36.17 73.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 119.708 -0.187 . . . . 0.81 111.049 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.27 -34.74 75.22 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.393 0.277 . . . . 0.69 110.563 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.8 -37.02 85.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.679 0.392 . . . . 0.68 110.85 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -77.11 -28.27 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 123.221 0.326 . . . . 0.48 111.767 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -102.99 23.52 12.15 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.643 0.609 . . . . 0.83 112.643 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -146.18 -56.35 0.28 Allowed 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.982 -0.449 . . . . 0.98 112.087 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -107.34 -8.58 16.29 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.177 0.806 . . . . 0.73 113.177 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 47.04 1.55 Allowed Pre-proline 0 CA--C 1.562 1.414 0 CA-C-N 118.409 0.55 . . . . 0.62 111.681 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.34 -36.25 0.7 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.665 2.243 . . . . 0.48 114.475 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -66.66 -40.22 88.53 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.244 0.461 . . . . 0.81 112.244 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -63.11 1.36 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.261 0.351 . . . . 0.88 111.074 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.4 86.4 5.66 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.298 -0.631 . . . . 0.7 109.298 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -49.85 -38.55 35.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.978 0.733 . . . . 1.23 112.978 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.31 72.43 10.71 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.931 0.396 . . . . 1.94 110.74 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -69.05 -33.43 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 116.421 -0.354 . . . . 0.6 111.745 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.79 -44.52 19.7 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.999 -0.44 . . . . 0.67 111.999 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -86.22 82.23 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.24 -0.652 . . . . 0.92 109.24 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.59 4.74 13.21 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.454 -0.793 . . . . 1.24 111.957 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.15 -31.17 64.09 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.373 0.508 . . . . 0.73 112.373 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.3 -41.51 93.59 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.235 0.214 . . . . 1.1 110.812 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.68 -38.38 25.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 119.469 -0.301 . . . . 1.47 110.459 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 57.6 ttp -52.88 -40.99 63.92 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.728 0.411 . . . . 0.81 111.631 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -71.23 -39.59 71.6 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.373 0.269 . . . . 2.39 111.124 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -66.91 -35.84 80.91 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.51 0.324 . . . . 0.63 111.156 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' B' ' 79' ' ' LEU . 15.8 mt -70.61 -57.03 5.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.769 0.428 . . . . 0.69 110.295 178.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -85.97 76.15 9.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.123 0.487 . . . . 1.32 109.967 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 p -94.92 -29.09 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 115.566 -0.743 . . . . 0.72 111.831 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.47 -18.48 41.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.526 0.331 . . . . 1.38 111.843 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.57 70.95 0.54 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 123.905 0.882 . . . . 2.02 111.92 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -134.87 7.99 3.5 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 115.798 -0.637 . . . . 1.3 112.061 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 59.4 28.17 17.47 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 123.635 0.774 . . . . 1.35 112.153 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -143.73 134.5 25.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 122.88 0.472 . . . . 2.4 110.405 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.28 81.67 1.48 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.651 0.263 . . . . 1.13 111.628 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -70.31 161.23 30.78 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.214 -1.032 . . . . 1.81 108.214 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -28.09 55.06 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.192 0.906 . . . . 1.23 112.503 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.2 -34.41 78.3 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.119 0.418 . . . . 0.99 110.109 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.39 -34.95 14.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.424 0.69 . . . . 0.93 110.723 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.514 ' HA ' HD22 ' B' ' 63' ' ' LEU . 26.0 t80 -72.84 -16.21 61.6 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.721 0.809 . . . . 0.71 112.328 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -26.64 56.48 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.207 0.603 . . . . 1.54 111.688 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' B' ' 63' ' ' LEU . 1.2 mmt-85 -61.29 -35.53 77.58 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 117.733 0.242 . . . . 2.15 111.208 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.5 tp -79.33 -31.77 43.17 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.663 0.385 . . . . 0.49 111.048 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.25 -38.77 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 122.644 0.377 . . . . 0.56 110.711 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.77 -44.51 92.1 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 112.135 -0.386 . . . . 0.42 112.135 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.36 -26.19 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.249 0.219 . . . . 0.91 110.796 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' LEU . . . . . 0.488 HD13 ' HG ' ' B' ' 79' ' ' LEU . 1.5 mp -67.08 -50.29 62.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.15 0.58 . . . . 0.69 110.263 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -6.66 58.35 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.464 0.913 . . . . 0.55 113.464 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -98.47 -42.47 7.3 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.227 0.467 . . . . 1.1 110.905 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.12 -12.28 59.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.828 0.677 . . . . 1.68 112.828 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.94 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 118.309 0.504 . . . . 0.63 111.169 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -86.74 -41.95 13.73 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.898 0.479 . . . . 1.64 111.826 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -138.11 85.2 2.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 121.304 0.573 . . . . 1.65 112.302 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -36.72 37.94 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.147 -0.479 . . . . 2.03 109.759 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -116.21 73.01 0.83 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.433 -0.951 . . . . 1.36 108.433 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.19 65.48 1.17 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.013 0.435 . . . . 1.72 112.058 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -176.54 -43.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.433 0.693 . . . . 1.27 110.985 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -93.24 -50.86 5.28 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 122.948 0.499 . . . . 1.61 111.13 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.05 131.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 122.683 0.393 . . . . 1.04 111.454 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -145.03 25.09 1.43 Allowed 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.13 0.789 . . . . 2.42 113.13 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -135.87 65.26 1.54 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.488 0.661 . . . . 1.86 111.153 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.323 -0.846 . . . . 1.85 110.495 179.572 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.472 HACB HG22 ' B' ' 18' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 121.025 0.441 . . . . 2.71 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 136.52 11.78 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.899 -0.591 . . . . 1.02 110.748 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.6 124.0 40.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.721 0.267 . . . . 0.7 111.721 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -134.68 134.53 22.25 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.56 0.744 . . . . 1.02 109.987 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.74 147.86 25.07 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.381 2.054 . . . . 0.74 113.226 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.62 -75.01 0.36 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.758 0.423 . . . . 1.19 110.794 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -104.1 165.96 10.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.285 0.634 . . . . 0.98 109.795 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -55.62 -50.2 70.81 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.236 0.458 . . . . 1.42 112.236 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.8 -35.23 79.6 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 119.705 -0.188 . . . . 0.65 111.494 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.42 -38.61 74.62 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 110.09 -0.337 . . . . 1.03 110.09 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.98 -30.43 70.55 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.891 0.476 . . . . 0.81 111.065 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -64.41 -43.97 92.73 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.386 0.274 . . . . 0.63 110.606 178.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -85.49 -12.33 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 112.22 0.452 . . . . 0.56 112.22 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -88.47 -41.47 12.74 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.185 0.594 . . . . 1.0 110.749 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -62.93 -29.17 70.58 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.953 0.353 . . . . 0.77 111.953 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -65.51 -28.58 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 109.913 -0.403 . . . . 0.5 109.913 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.43 -64.46 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 122.826 0.45 . . . . 0.95 110.713 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.5 p -52.41 -39.32 60.78 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.985 1.476 . . . . 0.62 114.985 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -66.53 -34.32 77.66 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.752 1.019 . . . . 0.66 113.752 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.76 -19.39 12.46 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.118 1.155 . . . . 0.95 114.118 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.84 -13.31 60.55 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.321 0.964 . . . . 3.17 113.444 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -70.87 -29.93 66.17 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.324 0.511 . . . . 1.37 109.641 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -98.12 -29.5 13.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.467 0.707 . . . . 1.55 111.472 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.29 62.68 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 112.937 0.718 . . . . 0.83 112.937 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.33 -20.89 63.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.986 0.736 . . . . 1.55 112.986 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -52.72 -43.43 65.67 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.818 0.847 . . . . 1.8 112.495 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.09 -179.49 7.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.482 0.313 . . . . 1.59 111.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.39 142.05 5.4 Favored Glycine 0 C--N 1.361 1.961 0 N-CA-C 115.017 0.767 . . . . 0.92 115.017 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 67.02 145.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.598 1.159 . . . . 2.6 111.981 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -87.82 -14.09 40.46 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 112.687 0.625 . . . . 1.22 112.687 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.22 59.09 1.09 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.692 0.397 . . . . 1.43 110.626 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -156.88 149.14 23.1 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.534 0.568 . . . . 1.09 112.534 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.63 149.09 23.71 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.717 -0.674 . . . . 0.76 109.32 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -84.26 154.19 23.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.317 0.247 . . . . 0.68 111.499 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -75.14 -32.95 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 112.41 0.522 . . . . 0.64 112.41 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -83.33 -43.71 15.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.433 0.293 . . . . 0.82 111.313 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.42 -26.98 66.69 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 111.965 0.357 . . . . 1.54 111.965 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.04 -42.0 81.24 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.744 0.418 . . . . 0.65 110.643 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.91 -31.39 72.6 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.663 0.385 . . . . 0.87 111.65 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -84.56 -33.67 23.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.798 0.439 . . . . 0.73 111.59 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.47 -38.64 91.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.67 0.213 . . . . 0.65 111.351 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.94 -29.59 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 122.584 0.354 . . . . 0.45 111.61 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -110.8 48.2 0.93 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 121.03 0.443 . . . . 0.8 111.793 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -166.28 -52.38 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.87 0.468 . . . . 1.1 110.792 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -113.02 -3.23 14.05 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 112.711 0.634 . . . . 0.84 112.711 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.55 40.32 0.38 Allowed Pre-proline 0 CA--C 1.566 1.578 0 N-CA-C 112.095 0.406 . . . . 0.67 112.095 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.4 -40.34 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 121.906 1.738 . . . . 0.52 114.505 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.19 -38.05 69.16 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.912 0.338 . . . . 0.85 111.912 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.74 -59.45 5.15 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.829 0.451 . . . . 0.87 110.57 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.25 99.18 10.11 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.512 -0.922 . . . . 0.73 108.512 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -57.6 -28.59 63.78 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 111.915 0.339 . . . . 1.32 111.915 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -78.01 80.29 4.45 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 122.85 0.46 . . . . 2.08 110.5 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -96.16 -35.76 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 116.066 -0.515 . . . . 0.71 112.298 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -50.59 7.16 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 119.755 -0.469 . . . . 0.83 113.283 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -84.66 88.47 7.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.213 0.506 . . . . 0.85 110.617 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.94 45.01 0.98 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.286 -0.416 . . . . 1.22 110.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -114.97 -43.26 3.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.852 0.461 . . . . 0.77 111.661 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.89 -37.08 86.45 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 117.832 0.287 . . . . 1.09 110.558 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -47.31 37.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 110.09 -0.337 . . . . 1.55 110.09 177.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttt -59.52 -39.04 82.58 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.074 0.768 . . . . 0.84 113.074 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -67.55 -43.73 79.96 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 111.965 0.357 . . . . 2.56 111.965 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.044 0.387 . . . . 0.61 112.044 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.712 HD22 ' HA ' ' A' ' 76' ' ' TYR . 30.7 mt -74.37 -58.42 3.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.405 0.282 . . . . 0.68 110.987 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.43 83.19 7.97 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.914 0.388 . . . . 1.39 110.633 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 p -90.51 -40.08 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 115.815 -0.63 . . . . 0.73 110.419 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -75.62 -25.83 57.27 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 122.62 0.368 . . . . 1.44 111.007 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 63.2 79.67 0.25 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 123.9 0.88 . . . . 1.96 111.691 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -131.53 25.46 4.77 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.642 -0.708 . . . . 1.41 111.074 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 t 70.78 -68.45 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.077 0.951 . . . . 1.31 112.007 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 150.78 45.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.405 0.282 . . . . 2.42 111.164 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.22 92.75 4.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.734 0.413 . . . . 0.95 111.554 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.87 161.11 29.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.412 -0.588 . . . . 1.89 109.412 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.52 -26.96 67.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.617 0.599 . . . . 1.2 112.617 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.12 -31.81 69.53 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.832 -0.433 . . . . 0.98 109.832 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -84.77 -40.89 16.71 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.731 0.412 . . . . 1.03 110.188 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.712 ' HA ' HD22 ' A' ' 63' ' ' LEU . 39.1 t80 -68.54 -16.6 63.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.179 0.592 . . . . 0.69 111.085 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -40.16 -40.88 1.18 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.874 1.67 . . . . 1.62 113.649 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.546 ' HB2' HD23 ' A' ' 63' ' ' LEU . 19.1 mmm-85 -62.8 -33.56 75.46 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.219 0.822 . . . . 1.96 113.219 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 63' ' ' LEU . 2.1 tp -79.19 -28.1 42.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 117.955 0.343 . . . . 0.53 111.699 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -55.29 -40.55 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 122.317 0.247 . . . . 0.61 110.381 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.37 -33.95 46.96 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 120.029 -0.317 . . . . 0.47 112.354 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.67 -26.94 63.67 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.157 0.583 . . . . 0.86 111.833 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.12 -48.35 65.65 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.698 0.399 . . . . 0.67 110.962 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.23 -11.73 60.13 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 111.941 0.349 . . . . 0.55 111.941 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -84.56 -41.51 16.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.328 0.651 . . . . 0.96 110.712 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.58 -20.06 47.86 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.63 0.604 . . . . 1.65 112.63 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.468 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -61.84 -39.46 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 112.563 0.579 . . . . 0.66 112.563 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' H ' ' HD3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -102.38 -42.28 6.05 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.374 0.509 . . . . 1.74 112.374 -178.073 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -138.33 78.83 1.7 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.502 0.556 . . . . 1.52 112.502 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.66 -33.1 35.86 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.721 -0.474 . . . . 1.87 109.721 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -116.39 68.46 0.73 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.549 -0.908 . . . . 1.53 108.549 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.86 66.98 2.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.483 0.658 . . . . 1.81 111.373 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tp -175.07 -45.2 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.322 -0.854 . . . . 1.24 110.897 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -91.99 -55.94 3.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.369 0.668 . . . . 1.73 111.354 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.23 128.35 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.732 0.413 . . . . 1.06 110.926 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -135.44 49.46 2.17 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.908 0.385 . . . . 2.26 111.728 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.51 83.51 0.47 Allowed 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.215 0.531 . . . . 1.74 110.724 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.3 tttp . . . . . 0 N--CA 1.474 0.734 0 CA-C-N 115.697 -0.683 . . . . 1.71 110.251 -179.369 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 113.11 0.781 . . . . 1.75 113.11 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.67 138.88 49.58 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.113 0.415 . . . . 0.78 111.149 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 100.92 8.87 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.6 0.238 . . . . 0.69 110.677 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -92.66 145.12 29.78 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.67 0.788 . . . . 1.1 111.501 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.44 126.53 15.72 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.426 2.084 . . . . 0.83 113.044 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.3 mt -122.15 -137.05 0.31 Allowed 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 118.797 -0.62 . . . . 1.24 110.495 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -78.89 162.82 25.77 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.363 0.983 . . . . 1.06 111.091 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -36.17 -54.44 0.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.46 1.282 . . . . 1.51 114.46 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.73 -40.77 72.57 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.097 0.406 . . . . 0.65 112.097 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.448 0.299 . . . . 0.95 111.62 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -76.49 -30.84 57.41 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.428 0.691 . . . . 0.85 111.328 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -58.01 -55.11 39.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.795 0.438 . . . . 0.56 111.516 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.36 -19.94 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 123.16 0.287 . . . . 0.53 111.655 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -77.91 -36.79 49.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.195 0.598 . . . . 1.0 110.804 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 17.0 m -59.32 -37.74 78.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.758 0.423 . . . . 0.88 111.82 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.47 -35.73 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 122.232 0.213 . . . . 0.56 111.57 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -81.56 -12.7 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 112.345 0.498 . . . . 0.97 112.345 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.445 HG22 HAEB ' B' ' 99' ' ' ANW . 66.2 p -105.98 -33.59 7.87 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.839 0.681 . . . . 0.67 112.839 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -70.56 -37.7 74.04 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.326 0.491 . . . . 0.69 112.326 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -110.13 26.43 10.68 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.385 0.513 . . . . 1.02 112.385 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -76.92 -36.19 56.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.252 0.221 . . . . 3.08 110.503 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -58.75 -33.66 70.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.148 0.579 . . . . 1.37 111.825 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -88.12 -39.59 14.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.91 0.484 . . . . 1.54 111.426 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.45 85.24 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.486 0.921 . . . . 0.85 113.486 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -73.61 -20.51 60.58 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 113.349 0.87 . . . . 1.73 113.349 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -52.18 -47.54 65.48 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.606 0.762 . . . . 1.68 112.922 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.7 -169.72 1.88 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 122.586 0.354 . . . . 1.45 110.622 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.54 139.93 25.88 Favored Glycine 0 C--N 1.361 1.971 0 N-CA-C 114.625 0.61 . . . . 0.86 114.625 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 63.29 139.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.123 0.969 . . . . 2.62 111.834 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -76.08 -47.43 24.6 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.489 0.315 . . . . 1.11 111.721 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.93 52.81 1.18 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.9 0.381 . . . . 1.36 110.441 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.8 t -153.21 115.34 4.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.797 0.439 . . . . 1.13 110.644 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.65 147.32 37.6 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.264 0.225 . . . . 0.79 110.939 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -81.79 169.65 16.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.598 0.359 . . . . 0.69 111.503 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.98 -35.45 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 112.486 0.55 . . . . 0.71 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -107.33 39.59 1.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.73 0.3 . . . . 0.83 111.199 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.92 -48.08 2.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.474 0.31 . . . . 1.61 110.561 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.74 -34.07 77.03 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 122.983 0.177 . . . . 0.66 111.183 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -65.58 -40.48 92.78 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.483 0.313 . . . . 0.81 111.116 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.52 -31.99 71.63 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.271 0.229 . . . . 0.69 110.767 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.04 -35.87 66.81 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.484 0.314 . . . . 0.68 111.129 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.495 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 78.7 t -76.29 -22.99 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 122.465 0.306 . . . . 0.48 111.757 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -106.27 34.44 3.36 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 118.024 0.374 . . . . 0.83 111.197 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -161.19 -53.16 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.96 0.356 . . . . 0.98 111.96 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -107.62 -11.69 15.4 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.836 0.68 . . . . 0.73 112.836 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 2.2 tp -138.0 46.49 1.31 Allowed Pre-proline 0 CA--C 1.561 1.382 0 CA-C-N 118.138 0.427 . . . . 0.62 111.482 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.71 -36.46 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.63 2.22 . . . . 0.48 115.154 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -79.41 -19.78 49.17 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.055 0.761 . . . . 0.81 113.055 -178.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.5 tp -72.81 -60.7 2.11 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.057 0.389 . . . . 0.88 110.557 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -84.01 115.69 22.46 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.788 -0.819 . . . . 0.7 108.788 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.17 -36.01 65.41 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.015 0.746 . . . . 1.23 113.015 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.54 101.85 12.49 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 122.542 0.337 . . . . 1.94 110.575 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -88.15 -32.71 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 116.499 -0.319 . . . . 0.6 111.168 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.1 -35.73 8.0 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 119.806 -0.441 . . . . 0.67 112.711 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -90.52 73.84 6.84 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.142 0.471 . . . . 0.92 110.508 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -6.83 23.11 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.85 -0.614 . . . . 1.24 111.556 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.12 -27.45 69.09 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.367 0.506 . . . . 0.73 112.367 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.86 -42.14 98.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.684 0.393 . . . . 1.1 110.904 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.0 -26.01 21.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 119.381 -0.342 . . . . 1.47 111.611 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.33 -39.4 86.93 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.124 0.416 . . . . 0.81 112.124 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -69.13 -34.33 74.85 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.684 0.22 . . . . 2.39 110.53 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -71.32 -37.93 71.73 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 109.941 -0.392 . . . . 0.63 109.941 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' B' ' 79' ' ' LEU . 22.5 mt -68.11 -46.23 71.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.0 0.52 . . . . 0.69 111.17 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.95 72.71 9.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.84 0.352 . . . . 1.32 110.398 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.45 -35.08 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.72 110.807 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -80.58 -31.49 36.79 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.092 0.557 . . . . 1.38 110.811 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 59.95 79.31 0.24 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.058 0.943 . . . . 2.02 111.753 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.57 33.99 0.95 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.676 -0.693 . . . . 1.3 110.871 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m 68.5 -59.6 0.45 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.494 1.118 . . . . 1.35 112.507 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -73.7 157.4 36.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.739 0.415 . . . . 2.4 110.849 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.86 100.11 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.395 0.278 . . . . 1.13 110.263 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -65.32 162.88 16.59 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.647 0.379 . . . . 1.81 110.307 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -28.07 69.62 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 118.21 0.459 . . . . 1.23 111.27 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -69.06 -37.19 78.39 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.782 -0.451 . . . . 0.99 109.782 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.92 -28.69 25.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.889 0.476 . . . . 0.93 110.693 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.461 ' HA ' HD22 ' B' ' 63' ' ' LEU . 52.1 t80 -81.41 -6.09 58.57 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.298 0.639 . . . . 0.71 111.415 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -19.24 61.99 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.355 0.662 . . . . 1.54 112.535 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -65.82 -29.44 69.91 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.342 0.257 . . . . 2.15 111.614 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.1 tp -92.24 -37.21 12.8 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 119.458 -0.306 . . . . 0.49 110.491 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.91 -35.98 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 110.255 -0.276 . . . . 0.56 110.255 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.37 90.84 Favored Glycine 0 C--N 1.353 1.528 0 N-CA-C 111.516 -0.634 . . . . 0.42 111.516 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.48 -28.4 67.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.713 0.405 . . . . 0.91 110.986 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.68 -53.68 54.55 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.545 0.338 . . . . 0.69 110.533 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.87 57.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.09 0.774 . . . . 0.55 113.09 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.94 -44.27 11.15 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.12 0.418 . . . . 1.1 111.316 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.63 -14.71 61.66 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.795 0.665 . . . . 1.68 112.795 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -61.35 -43.14 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 117.895 0.316 . . . . 0.63 111.661 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.61 -33.69 18.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.001 0.371 . . . . 1.64 112.001 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -145.72 90.17 1.97 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.655 0.613 . . . . 1.65 112.655 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -35.41 25.0 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.038 -0.727 . . . . 2.03 109.038 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -132.81 84.48 2.14 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.289 -1.004 . . . . 1.36 108.289 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.28 65.62 4.5 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 121.309 0.576 . . . . 1.72 111.07 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 tp -161.8 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.533 -0.758 . . . . 1.27 110.685 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -91.1 -56.52 3.13 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.519 0.327 . . . . 1.61 110.498 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 pt -103.47 130.12 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 122.661 0.384 . . . . 1.04 110.383 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.92 9.58 5.38 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.076 0.769 . . . . 2.42 113.076 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 119.46 3.84 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 117.959 0.345 . . . . 1.86 111.386 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.173 -0.918 . . . . 1.85 110.584 179.33 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.414 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.467 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.068 0.461 . . . . 2.71 111.538 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.74 170.21 20.31 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.191 -0.459 . . . . 1.02 111.897 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.32 98.37 9.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.885 0.474 . . . . 0.7 111.057 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -113.67 133.21 22.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 122.843 0.457 . . . . 1.02 110.593 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.07 147.5 21.0 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.972 2.448 . . . . 0.74 114.137 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.7 mt -138.93 -69.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.836 0.454 . . . . 1.19 111.041 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.6 p -107.13 174.49 5.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.098 0.559 . . . . 0.98 110.695 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.68 -45.55 91.75 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.453 0.538 . . . . 1.42 112.453 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.31 -39.67 62.72 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.592 0.219 . . . . 0.65 111.592 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.03 -34.09 77.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 110.35 -0.241 . . . . 1.03 110.35 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.03 -31.3 70.87 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 122.801 0.44 . . . . 0.81 111.198 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -63.47 -58.07 8.21 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.816 0.28 . . . . 0.63 111.125 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.08 -27.69 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 111.933 0.345 . . . . 0.56 111.933 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -71.75 -41.5 68.35 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.03 0.532 . . . . 1.0 110.786 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -61.23 -34.49 75.21 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.941 0.497 . . . . 0.77 111.825 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.8 t -69.32 -31.9 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 117.767 0.258 . . . . 0.5 110.85 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.71 -50.2 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.69 0.396 . . . . 0.95 110.444 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -59.99 -46.44 89.47 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.202 1.186 . . . . 0.62 114.202 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -64.43 -42.73 95.86 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.438 0.903 . . . . 0.66 113.438 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -87.64 -32.33 19.33 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.375 0.88 . . . . 0.95 113.375 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.72 -16.87 64.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.73 0.641 . . . . 3.17 112.73 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -61.98 -32.59 73.06 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 117.68 0.218 . . . . 1.37 110.633 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -105.26 -26.62 11.95 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.101 0.561 . . . . 1.55 111.806 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -20.89 61.74 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.546 0.943 . . . . 0.83 113.546 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -68.17 -14.27 62.85 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.196 0.813 . . . . 1.55 113.196 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -71.34 -44.47 65.0 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.398 0.518 . . . . 1.8 112.398 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.13 -178.04 6.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.314 0.246 . . . . 1.59 111.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.8 133.3 40.38 Favored Glycine 0 C--N 1.36 1.872 0 N-CA-C 114.325 0.49 . . . . 0.92 114.325 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 65.11 134.98 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.189 0.996 . . . . 2.6 112.173 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.35 -29.52 34.08 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.069 -0.514 . . . . 1.22 111.483 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -84.12 -13.7 52.27 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.917 0.487 . . . . 1.43 112.141 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 72' ' ' LYS . 22.6 t -97.89 152.87 18.77 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 112.442 0.534 . . . . 1.09 112.442 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.16 152.5 20.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.587 -0.733 . . . . 0.76 109.765 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 t -83.06 147.88 27.87 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 110.336 -0.246 . . . . 0.68 110.336 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.66 -22.37 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 113.404 0.89 . . . . 0.64 113.404 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -101.07 -29.32 12.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.259 0.466 . . . . 0.82 112.259 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.1 -37.53 66.69 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 112.26 0.467 . . . . 1.54 112.26 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -66.19 -38.25 87.55 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.691 0.223 . . . . 0.65 110.603 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.45 -40.01 92.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.564 0.346 . . . . 0.87 110.841 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.09 -34.32 77.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.411 0.284 . . . . 0.73 111.093 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.48 -37.94 88.3 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.723 0.409 . . . . 0.65 110.807 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.98 -32.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.955 0.502 . . . . 0.45 111.425 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -100.76 28.69 4.99 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 122.403 0.281 . . . . 0.8 111.678 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -153.48 -58.38 0.13 Allowed 'General case' 0 C--N 1.36 1.043 0 N-CA-C 112.151 0.426 . . . . 1.1 112.151 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -104.06 -14.99 15.71 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.444 0.905 . . . . 0.84 113.444 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.52 51.69 5.23 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 118.165 0.439 . . . . 0.67 112.151 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -85.41 -32.86 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.232 1.954 . . . . 0.52 114.782 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -69.27 -39.64 78.27 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.51 0.559 . . . . 0.85 112.51 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.61 -56.07 16.28 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.565 0.346 . . . . 0.87 111.517 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.2 mt -93.5 106.08 18.08 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.408 -0.59 . . . . 0.73 109.408 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -60.79 -29.22 69.31 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.581 0.586 . . . . 1.32 112.581 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.32 71.65 5.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 122.397 0.279 . . . . 2.08 111.351 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.5 -38.21 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 116.915 -0.13 . . . . 0.71 111.175 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.64 -28.55 18.75 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-O 119.782 -0.455 . . . . 0.83 112.732 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -99.17 53.08 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-O 121.009 0.433 . . . . 0.85 110.883 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -17.19 38.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.79 0.436 . . . . 1.22 111.379 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.86 -32.79 33.62 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.612 0.968 . . . . 0.77 113.612 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.07 -39.7 93.32 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.876 0.307 . . . . 1.09 110.889 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.71 -30.92 18.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.554 0.342 . . . . 1.55 111.191 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.4 ttp -58.48 -40.23 82.16 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.912 0.485 . . . . 0.84 111.476 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -66.79 -34.46 77.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 122.993 0.183 . . . . 2.56 110.902 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 m -71.09 -34.97 71.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.911 0.484 . . . . 0.61 111.796 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 79' ' ' LEU . 80.1 mt -67.79 -59.17 3.52 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.389 0.276 . . . . 0.68 111.129 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.21 74.6 10.42 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 121.083 0.468 . . . . 1.39 110.558 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.35 -27.25 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 CA-C-N 115.633 -0.712 . . . . 0.73 111.032 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.73 -19.72 63.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.37 0.668 . . . . 1.44 112.335 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 61.79 60.06 1.65 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.843 0.857 . . . . 1.96 112.175 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -144.02 16.4 1.74 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.148 -0.478 . . . . 1.41 112.034 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.1 m 55.39 29.84 13.84 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 113.215 0.82 . . . . 1.31 113.215 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.58 116.92 16.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.887 0.475 . . . . 2.42 110.058 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.89 77.31 1.84 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.758 0.313 . . . . 0.95 111.556 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 7.1 ttpm? -68.96 159.43 32.75 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 118.683 -0.675 . . . . 1.89 109.753 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -28.67 48.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.905 0.705 . . . . 1.2 112.905 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.07 -32.77 73.34 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 109.824 -0.436 . . . . 0.98 109.824 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.25 -40.15 11.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.921 0.888 . . . . 1.03 110.762 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.71 ' HA ' HD22 ' A' ' 63' ' ' LEU . 44.4 t80 -68.59 -16.36 63.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.852 0.861 . . . . 0.69 111.709 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -27.55 16.18 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.788 0.835 . . . . 1.62 112.387 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.635 ' HB2' HD23 ' A' ' 63' ' ' LEU . 13.7 mmm-85 -62.15 -34.51 76.53 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.884 0.473 . . . . 1.96 111.343 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.736 ' HB2' HD21 ' A' ' 63' ' ' LEU . 22.3 tp -88.93 -28.92 19.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.337 0.255 . . . . 0.53 110.508 178.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mm -59.79 -37.42 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.842 0.457 . . . . 0.61 110.469 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.88 87.63 Favored Glycine 0 C--N 1.354 1.531 0 N-CA-C 111.598 -0.601 . . . . 0.47 111.598 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -22.94 62.9 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.77 0.428 . . . . 0.86 111.249 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.51 -43.52 89.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.379 0.672 . . . . 0.67 111.004 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . . . -93.94 -18.55 21.81 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.732 0.641 . . . . 0.55 112.732 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -77.5 -48.6 16.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.821 0.282 . . . . 0.96 110.786 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.09 -30.94 69.57 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.447 0.906 . . . . 1.65 113.447 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -38.59 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 118.894 0.77 . . . . 0.66 111.517 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -102.24 10.2 39.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.719 0.637 . . . . 1.74 112.719 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt 179.76 63.89 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.394 0.678 . . . . 1.52 111.288 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -42.48 29.24 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 122.382 -0.199 . . . . 1.87 111.115 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.57 65.79 1.33 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.449 -0.945 . . . . 1.53 108.449 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.29 68.09 0.73 Allowed 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 121.262 0.553 . . . . 1.81 111.517 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.34 -48.71 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.876 0.871 . . . . 1.24 109.932 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -87.89 -55.05 3.93 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.103 0.561 . . . . 1.73 110.732 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 pt -115.29 138.7 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 1.06 110.064 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -143.36 37.93 1.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.313 0.486 . . . . 2.26 112.313 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 90.76 0.4 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.329 0.252 . . . . 1.74 111.451 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 tttp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.018 0.437 . . . . 1.71 110.609 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 112.472 0.545 . . . . 1.75 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 160.44 14.53 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.821 0.448 . . . . 0.78 110.57 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.565 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -93.17 111.11 22.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.124 0.169 . . . . 0.69 111.429 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -104.48 142.29 24.31 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.046 0.539 . . . . 1.1 111.573 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.11 128.85 30.32 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.203 2.602 . . . . 0.83 114.121 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -135.19 -153.3 0.51 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.294 0.638 . . . . 1.24 110.509 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -56.41 159.8 3.46 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.915 0.78 . . . . 1.06 110.796 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.17 -46.78 12.29 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.558 0.947 . . . . 1.51 113.558 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.35 -41.36 73.25 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.811 0.301 . . . . 0.65 111.811 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.77 -24.48 60.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.565 0.346 . . . . 0.95 111.515 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -84.1 -31.19 25.41 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.464 0.706 . . . . 0.85 111.448 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -59.26 -51.54 69.51 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.858 0.299 . . . . 0.56 110.955 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.423 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -69.82 -23.87 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 111.948 0.351 . . . . 0.53 111.948 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.565 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 0.9 OUTLIER -72.97 -38.23 66.78 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.995 0.518 . . . . 1.0 111.061 178.371 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -59.07 -35.68 73.78 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.41 0.522 . . . . 0.88 112.41 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.65 -31.06 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 122.311 0.244 . . . . 0.56 110.683 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 50.3 t -74.34 -58.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.015 0.526 . . . . 0.97 110.686 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -58.6 -35.61 72.72 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.822 1.045 . . . . 0.67 113.822 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -42.15 82.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 119.373 -0.346 . . . . 0.69 111.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -111.11 26.07 11.09 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.087 0.773 . . . . 1.02 113.087 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -80.55 -40.38 26.01 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.422 0.556 . . . . 3.08 109.897 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 28.6 m -59.9 -31.21 69.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.861 0.464 . . . . 1.37 111.004 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.34 -32.84 19.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.737 0.415 . . . . 1.54 111.039 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.68 -23.96 58.71 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.792 0.664 . . . . 0.85 112.792 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -86.3 5.11 36.06 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 112.832 0.678 . . . . 1.73 112.832 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.02 -44.4 20.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.552 0.341 . . . . 1.68 111.503 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -107.81 176.72 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.719 0.408 . . . . 1.45 111.219 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.2 123.61 0.01 OUTLIER Glycine 0 C--N 1.362 2.0 0 N-CA-C 116.736 1.454 . . . . 0.86 116.736 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 65.28 146.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.333 1.053 . . . . 2.62 112.616 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -80.77 -36.0 32.45 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.115 -0.493 . . . . 1.11 110.512 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.59 46.59 0.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.012 0.525 . . . . 1.36 110.104 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.72 139.0 18.41 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.959 0.504 . . . . 1.13 110.878 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.2 153.23 18.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.892 0.477 . . . . 0.79 110.624 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -83.88 164.67 19.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.279 0.232 . . . . 0.69 110.676 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.95 -27.4 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 112.54 0.57 . . . . 0.71 112.54 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -95.45 -32.45 12.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.179 0.437 . . . . 0.83 112.179 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.18 -41.07 77.67 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.738 0.644 . . . . 1.61 112.738 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.57 -35.87 79.85 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 111.52 0.193 . . . . 0.66 111.52 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.711 0.404 . . . . 0.81 110.819 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.06 -32.71 74.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.533 0.333 . . . . 0.69 110.777 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.73 -37.65 70.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.874 0.47 . . . . 0.68 111.003 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.39 -29.12 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.609 0.364 . . . . 0.48 111.091 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.22 40.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.641 0.257 . . . . 0.83 111.103 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -159.85 -57.15 0.06 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 122.255 -0.278 . . . . 0.98 111.521 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -109.21 -13.38 14.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.462 0.542 . . . . 0.73 112.462 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 tp -133.29 42.54 0.86 Allowed Pre-proline 0 CA--C 1.566 1.591 0 N-CA-C 112.417 0.525 . . . . 0.62 112.417 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.09 -38.3 0.45 Allowed 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.069 1.846 . . . . 0.48 114.799 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -72.61 -22.21 61.0 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.525 0.565 . . . . 0.81 112.525 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 tp -73.03 -64.88 0.88 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 117.844 0.293 . . . . 0.88 110.785 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.33 99.59 12.09 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.682 -0.859 . . . . 0.7 108.682 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -45.86 -41.41 11.18 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.327 0.862 . . . . 1.23 113.327 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -91.32 85.2 5.74 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 110.223 -0.288 . . . . 1.94 110.223 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.76 -30.5 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 112.319 0.488 . . . . 0.6 112.319 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.76 -48.09 6.36 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.695 -0.503 . . . . 0.67 113.393 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -99.69 63.04 1.21 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 117.037 0.419 . . . . 0.92 110.691 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -95.41 67.87 2.95 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.937 -0.764 . . . . 1.24 108.937 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.15 -32.85 5.21 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.171 -0.922 . . . . 0.73 111.403 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.45 -40.29 86.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.663 0.385 . . . . 1.1 110.876 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.66 -42.9 23.82 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 122.585 0.354 . . . . 1.47 110.289 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' MET . . . . . 0.516 ' HA ' HD12 ' B' ' 63' ' ' LEU . 42.9 ttp -49.84 -38.24 34.13 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.922 0.712 . . . . 0.81 112.922 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -73.2 -40.58 64.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.231 0.212 . . . . 2.39 111.105 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -71.42 -25.58 62.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.73 0.412 . . . . 0.63 111.392 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.537 HD11 HD13 ' B' ' 79' ' ' LEU . 52.6 mt -72.38 -61.83 1.66 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.885 0.474 . . . . 0.69 110.674 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -90.05 84.23 6.14 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.753 0.421 . . . . 1.32 109.972 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 p -89.54 -21.27 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.672 -0.695 . . . . 0.72 111.971 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -76.0 -21.0 57.37 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 112.628 0.603 . . . . 1.38 112.628 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.88 61.0 1.73 Allowed 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.475 0.71 . . . . 2.02 111.313 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.36 15.44 2.58 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.328 0.492 . . . . 1.3 112.328 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 60.32 27.66 17.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.507 0.723 . . . . 1.35 112.686 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -134.73 127.22 30.56 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.655 0.382 . . . . 2.4 110.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.55 73.44 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.983 0.42 . . . . 1.13 110.38 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.06 171.32 1.29 Allowed 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.019 -0.734 . . . . 1.81 109.019 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 84' ' ' ALA . 1.2 t80 -65.79 -19.75 66.0 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.492 1.042 . . . . 1.23 111.693 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -77.42 -32.01 54.4 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.547 -0.538 . . . . 0.99 109.547 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -86.2 -43.8 12.7 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.639 0.776 . . . . 0.93 110.068 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.414 ' HA ' HD22 ' B' ' 63' ' ' LEU . 11.3 t80 -69.48 -13.95 62.62 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.845 0.858 . . . . 0.71 111.271 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -39.39 -40.08 0.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.602 1.561 . . . . 1.54 113.185 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.446 ' HB2' HD23 ' B' ' 63' ' ' LEU . 2.5 mmt-85 -69.57 -32.1 70.67 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.752 1.019 . . . . 2.15 113.752 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.537 HD13 HD11 ' B' ' 63' ' ' LEU . 3.8 tp -75.59 -35.84 60.47 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.753 0.706 . . . . 0.49 111.682 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.3 mm -61.57 -38.17 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.185 -0.672 . . . . 0.56 109.185 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.63 -43.37 52.4 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 111.44 -0.664 . . . . 0.42 111.44 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.01 -22.42 62.16 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.495 0.318 . . . . 0.91 111.491 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -52.41 63.85 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.994 0.518 . . . . 0.69 109.791 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.541 ' O ' HG22 ' B' ' 87' ' ' ILE . . . -77.13 -29.3 54.66 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.929 -0.578 . . . . 0.55 111.899 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.46 -27.47 65.26 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.76 0.254 . . . . 1.1 110.87 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -100.62 31.18 3.59 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 122.628 0.371 . . . . 1.68 111.927 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.541 HG22 ' O ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -111.4 -37.11 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.999 0.519 . . . . 0.63 110.422 178.218 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -43.41 2.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 122.683 0.393 . . . . 1.64 111.267 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -104.89 41.68 1.31 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 112.045 0.387 . . . . 1.65 112.045 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -38.53 66.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.437 0.295 . . . . 2.03 111.012 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -141.71 70.6 1.34 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.397 0.679 . . . . 1.36 109.466 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.95 -24.96 67.31 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.716 1.006 . . . . 1.72 113.716 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 mp -87.21 -44.45 11.45 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.375 0.509 . . . . 1.27 112.375 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -75.28 -60.66 2.2 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.193 0.442 . . . . 1.61 112.193 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.7 pt -109.68 143.1 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.777 0.431 . . . . 1.04 111.234 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -149.23 30.82 0.76 Allowed 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 113.685 0.994 . . . . 2.42 113.685 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -164.84 78.45 0.33 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.071 0.463 . . . . 1.86 111.547 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.054 -0.974 . . . . 1.85 110.67 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.482 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.414 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.292 0.567 . . . . 2.71 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.31 152.68 39.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.487 -0.779 . . . . 1.02 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB3' HG23 ' A' ' 18' ' ' THR . . . -86.56 108.06 18.41 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.709 -0.223 . . . . 0.7 111.261 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -127.88 143.71 48.73 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 123.213 0.605 . . . . 1.02 110.691 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.2 145.82 15.46 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.636 2.224 . . . . 0.74 114.144 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -139.51 -62.03 0.53 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.081 0.552 . . . . 1.19 111.904 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -117.77 163.58 16.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.561 0.744 . . . . 0.98 110.544 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.72 -49.5 70.6 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.67 0.619 . . . . 1.42 112.67 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.36 -37.58 63.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 117.918 0.326 . . . . 0.65 111.68 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -63.68 -38.35 90.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.262 0.225 . . . . 1.03 110.434 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.07 -35.76 80.53 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.483 0.713 . . . . 0.81 111.644 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -55.68 -57.03 13.68 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.346 0.258 . . . . 0.63 111.14 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -71.71 -21.57 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 112.222 0.453 . . . . 0.56 112.222 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.19 -36.26 35.18 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.132 0.573 . . . . 1.0 111.979 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.67 -33.69 76.54 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.432 0.293 . . . . 0.77 111.686 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.38 -33.98 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.545 0.338 . . . . 0.5 111.048 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.53 -45.84 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 119.299 -0.381 . . . . 0.95 111.357 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.711 0.634 . . . . 0.62 112.711 -179.52 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -62.46 -42.1 99.24 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 111.577 0.214 . . . . 0.66 111.577 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -112.33 42.8 1.73 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.683 0.278 . . . . 0.95 111.071 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -91.92 -41.75 10.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.783 0.433 . . . . 3.17 110.342 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -61.81 -34.24 75.56 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.14 0.576 . . . . 1.37 111.506 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -79.19 -38.18 36.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.509 0.324 . . . . 1.55 111.134 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.25 71.32 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.787 0.662 . . . . 0.83 112.787 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -79.48 -11.86 59.89 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 112.339 0.496 . . . . 1.55 112.339 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.35 -46.39 83.68 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.334 0.254 . . . . 1.8 111.086 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -93.07 -179.88 5.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.669 0.388 . . . . 1.59 110.606 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.24 139.11 26.19 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.501 0.961 . . . . 0.92 115.501 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 68.06 137.6 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.649 1.18 . . . . 2.6 112.409 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -74.52 -37.7 63.0 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.233 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -97.91 44.99 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.661 0.384 . . . . 1.43 110.423 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 t -146.84 141.1 26.27 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 112.323 0.49 . . . . 1.09 112.323 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -101.99 160.84 14.15 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.244 -0.65 . . . . 0.76 109.244 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -97.0 162.6 13.31 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.634 0.235 . . . . 0.68 111.634 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.01 -31.37 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.039 0.536 . . . . 0.64 112.085 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -91.83 -30.67 16.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.817 0.447 . . . . 0.82 110.945 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -69.51 -36.46 76.49 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.381 0.511 . . . . 1.54 112.381 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -38.36 71.83 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.882 -0.414 . . . . 0.65 109.882 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.02 -39.96 95.27 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 122.739 0.416 . . . . 0.87 110.783 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.21 -31.6 70.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.568 0.347 . . . . 0.73 110.736 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.0 -32.16 70.2 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.752 0.421 . . . . 0.65 111.612 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.8 t -82.83 -26.17 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.159 0.583 . . . . 0.45 111.419 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.05 32.99 4.2 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.787 0.292 . . . . 0.8 111.787 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -157.65 -58.74 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 O-C-N 122.03 -0.419 . . . . 1.1 112.109 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -104.25 -12.54 16.59 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.541 0.571 . . . . 0.84 112.541 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.09 44.72 1.1 Allowed Pre-proline 0 CA--C 1.567 1.606 0 N-CA-C 112.457 0.54 . . . . 0.67 112.457 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -82.87 -28.66 1.56 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 122.592 2.195 . . . . 0.52 114.614 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -76.27 -27.4 56.67 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.485 0.55 . . . . 0.85 112.485 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.66 -62.71 1.32 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.614 0.188 . . . . 0.87 111.157 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -85.56 110.88 19.54 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 108.932 -0.766 . . . . 0.73 108.932 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -31.8 69.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.57 0.581 . . . . 1.32 112.57 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.14 92.16 8.84 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.481 -0.563 . . . . 2.08 109.481 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.24 -18.09 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 112.89 0.7 . . . . 0.71 112.89 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.2 -60.46 0.75 Allowed Glycine 0 C--N 1.355 1.62 0 CA-C-N 117.932 0.333 . . . . 0.83 113.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 t -83.66 88.81 7.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.956 0.354 . . . . 0.85 111.956 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.74 27.86 8.06 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.408 . . . . 1.22 111.383 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.04 -26.23 63.0 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 122.096 -0.377 . . . . 0.77 111.537 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.1 -36.09 72.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.714 0.406 . . . . 1.09 111.339 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -94.37 -22.76 18.12 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.308 0.484 . . . . 1.55 112.308 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 51.0 ttp -65.25 -43.07 92.51 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.341 0.519 . . . . 0.84 110.643 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -69.87 -34.93 74.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.226 0.329 . . . . 2.56 110.388 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.6 m -69.37 -36.23 76.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.771 0.429 . . . . 0.61 110.574 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 79' ' ' LEU . 20.8 mt -66.61 -61.66 1.86 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.192 0.597 . . . . 0.68 110.705 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.43 82.43 8.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.661 0.384 . . . . 1.39 110.979 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -96.95 -26.73 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.101 -0.499 . . . . 0.73 110.973 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -77.71 -33.48 53.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.212 0.605 . . . . 1.44 111.507 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 68.64 58.89 0.39 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.313 1.045 . . . . 1.96 112.434 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.0 14.7 5.23 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.907 -0.588 . . . . 1.41 111.157 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t 76.53 -52.78 0.59 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.413 1.085 . . . . 1.31 112.199 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.73 125.16 28.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.493 0.317 . . . . 2.42 111.232 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -90.68 88.74 7.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.436 0.295 . . . . 0.95 110.505 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -66.21 165.1 14.41 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 119.358 -0.353 . . . . 1.89 110.443 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.9 -25.04 60.29 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.314 0.506 . . . . 1.2 112.325 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -72.09 -30.3 64.96 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.799 -0.445 . . . . 0.98 109.799 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -37.12 22.68 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.366 0.666 . . . . 1.03 109.801 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.27 -21.44 61.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.1 0.56 . . . . 0.69 110.788 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -51.02 -35.35 33.75 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.74 1.216 . . . . 1.62 112.986 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -63.37 -39.43 94.5 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.262 0.467 . . . . 1.96 112.262 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' HB2' HD21 ' A' ' 63' ' ' LEU . 25.5 tp -74.02 -26.02 60.2 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.536 -0.268 . . . . 0.53 111.475 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.9 mm -65.44 -34.66 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 110.143 -0.317 . . . . 0.61 110.143 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.51 -47.24 91.77 Favored Glycine 0 C--N 1.358 1.765 0 N-CA-C 112.497 -0.241 . . . . 0.47 112.497 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.07 -17.11 57.4 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.768 0.427 . . . . 0.86 111.876 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -61.37 -50.07 74.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.505 0.722 . . . . 0.67 111.445 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.608 ' HB3' ' CZ ' ' B' ' 73' ' ' PHE . . . -88.66 -16.67 31.78 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.181 0.437 . . . . 0.55 112.181 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -78.16 -26.76 47.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.564 0.346 . . . . 0.96 111.289 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.65 -15.19 24.19 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.603 0.964 . . . . 1.65 113.603 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -61.67 -38.56 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 118.913 0.779 . . . . 0.66 111.618 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -97.78 -35.5 10.51 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.175 0.435 . . . . 1.74 112.175 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -137.77 68.98 1.4 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.387 0.514 . . . . 1.52 112.387 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -34.56 77.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 122.3 -0.25 . . . . 1.87 110.609 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -131.62 85.06 2.22 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.65 -0.87 . . . . 1.53 108.65 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.92 70.76 5.31 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 1.81 111.996 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 tp -176.44 -46.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.503 -0.771 . . . . 1.24 110.579 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -85.05 -53.46 5.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.126 0.571 . . . . 1.73 110.86 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.47 132.89 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 122.99 0.516 . . . . 1.06 110.855 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -145.52 40.61 1.21 Allowed 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.717 0.636 . . . . 2.26 112.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -168.79 94.49 0.34 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.045 0.45 . . . . 1.74 111.344 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-N 116.312 -0.404 . . . . 1.71 110.313 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.479 0.548 . . . . 1.75 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.72 129.58 42.72 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 122.675 0.39 . . . . 0.78 111.079 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.544 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -71.65 108.38 4.97 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.628 -0.26 . . . . 0.69 111.525 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -98.35 143.31 26.06 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.21 0.604 . . . . 1.1 110.978 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -59.16 129.37 31.34 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.918 2.412 . . . . 0.83 113.725 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 mt -133.45 -133.98 0.17 Allowed 'General case' 0 CA--C 1.564 1.496 0 CA-C-O 118.948 -0.548 . . . . 1.24 110.557 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -68.12 163.32 22.8 Favored 'General case' 0 C--N 1.368 1.381 0 CA-C-N 119.172 0.896 . . . . 1.06 110.866 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.32 -43.07 53.66 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.035 0.754 . . . . 1.51 113.035 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.83 -41.94 58.96 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.712 0.233 . . . . 0.65 110.952 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.62 -30.67 68.45 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.745 0.418 . . . . 0.95 110.976 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.99 -31.43 62.96 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.553 0.741 . . . . 0.85 111.355 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -61.78 -53.5 55.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.527 0.331 . . . . 0.56 111.081 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.31 -21.1 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 122.443 0.297 . . . . 0.53 111.463 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.544 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 5.2 tm-20 -78.52 -37.68 42.43 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.388 0.675 . . . . 1.0 110.811 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 26.8 m -57.57 -39.55 77.0 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.995 0.518 . . . . 0.88 111.551 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.72 -29.1 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.495 0.318 . . . . 0.56 111.064 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.4 -22.7 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.969 0.507 . . . . 0.97 111.823 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 30.6 p -97.62 -11.66 23.34 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.865 0.691 . . . . 0.67 112.865 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -98.39 -56.76 2.37 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.188 0.44 . . . . 0.69 112.188 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' B' ' 41' ' ' LEU . 67.5 t80 -94.73 -41.63 9.16 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.81 1.041 . . . . 1.02 113.81 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.08 -16.69 20.48 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.137 0.791 . . . . 3.08 113.137 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -68.98 -39.39 79.42 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.719 -0.475 . . . . 1.37 109.719 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -83.28 -16.0 47.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.268 0.627 . . . . 1.54 111.834 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 5.29 20.0 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.13 1.159 . . . . 0.85 114.13 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -81.85 -1.11 46.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.451 0.537 . . . . 1.73 112.451 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -64.11 -50.77 66.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.713 0.405 . . . . 1.68 112.082 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.03 -178.98 6.68 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 110.34 -0.245 . . . . 1.45 110.34 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.66 143.6 17.83 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.692 0.637 . . . . 0.86 114.692 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? 66.79 148.52 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.088 0.955 . . . . 2.62 112.795 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -91.84 -37.67 12.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.817 -0.629 . . . . 1.11 110.114 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -90.01 52.79 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.427 0.632 . . . . 1.36 110.408 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.5 p -152.57 156.95 40.32 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.576 -0.738 . . . . 1.13 110.584 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.61 132.69 53.98 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.675 -0.491 . . . . 0.79 109.675 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.5 t -64.1 143.94 57.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.453 0.301 . . . . 0.69 111.788 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.53 -21.73 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 113.196 0.814 . . . . 0.71 113.196 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -97.2 -32.74 11.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.602 0.361 . . . . 0.83 111.646 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.48 -33.08 48.47 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.156 0.799 . . . . 1.61 113.156 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -65.51 -33.09 75.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.483 0.583 . . . . 0.66 111.619 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.47 -38.6 74.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 0.81 111.009 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.35 -29.43 61.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.42 0.288 . . . . 0.69 111.42 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' B' ' 20' ' ' PHE . 50.4 tp -63.33 -44.61 94.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.584 0.353 . . . . 0.68 111.054 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.94 -20.17 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.853 0.461 . . . . 0.48 111.832 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -89.12 -19.01 26.07 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.683 0.623 . . . . 0.83 112.683 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -113.94 -57.48 2.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.974 0.731 . . . . 0.98 112.974 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -96.49 -11.0 26.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.135 1.161 . . . . 0.73 114.135 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.422 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 tp -136.98 42.48 0.67 Allowed Pre-proline 0 CA--C 1.566 1.563 0 CA-C-N 119.067 0.849 . . . . 0.62 112.888 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 96.5 Cg_endo -82.41 -37.25 0.23 Allowed 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.255 1.97 . . . . 0.48 114.374 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -68.21 -34.23 75.87 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.341 0.497 . . . . 0.81 112.341 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 tp -68.44 -63.59 1.03 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.836 0.454 . . . . 0.88 111.17 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.67 109.62 19.31 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.7 109.318 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -57.31 -33.06 67.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.849 0.46 . . . . 1.23 112.144 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.46 84.25 7.72 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.759 -0.46 . . . . 1.94 109.759 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.76 -31.04 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 N-CA-C 112.812 0.671 . . . . 0.6 112.812 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.2 -41.7 5.46 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.038 -0.312 . . . . 0.67 113.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.9 t -100.97 81.73 2.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.602 0.361 . . . . 0.92 110.953 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.08 1.58 47.14 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.439 0.533 . . . . 1.24 112.439 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.36 -30.48 62.72 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.007 0.743 . . . . 0.73 113.007 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -70.16 -39.84 75.09 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 122.356 0.263 . . . . 1.1 111.02 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.451 ' HB3' HD13 ' B' ' 79' ' ' LEU . 4.0 mptt -110.75 58.02 0.61 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.336 0.589 . . . . 1.47 109.683 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -141.89 -53.88 0.44 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.326 -0.852 . . . . 0.81 109.407 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -74.73 -34.53 62.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.752 0.421 . . . . 2.39 109.946 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 27.2 m -67.87 -34.76 77.3 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.111 0.564 . . . . 0.63 111.055 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' B' ' 79' ' ' LEU . 82.4 mt -68.17 -67.51 0.46 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.259 0.349 . . . . 0.69 110.456 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.07 86.56 4.89 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.944 0.402 . . . . 1.32 110.006 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -20.81 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 115.642 -0.708 . . . . 0.72 112.156 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.853 0.686 . . . . 1.38 112.853 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.67 53.39 6.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.197 0.599 . . . . 2.02 111.221 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.39 6.57 10.13 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.244 -0.435 . . . . 1.3 112.088 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.5 m 61.36 24.4 14.51 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.567 0.747 . . . . 1.35 112.24 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -141.92 107.49 5.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.538 0.735 . . . . 2.4 109.186 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.26 90.29 7.51 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.658 0.244 . . . . 1.13 111.658 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -70.98 -179.5 2.31 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.578 -0.897 . . . . 1.81 108.578 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 84' ' ' ALA . 1.7 t80 -71.07 -27.09 63.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.001 0.819 . . . . 1.23 111.428 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.68 -26.33 63.38 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 110.011 -0.366 . . . . 0.99 110.011 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.73 -47.39 7.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.5 0.72 . . . . 0.93 110.478 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.531 ' HA ' HD22 ' B' ' 63' ' ' LEU . 20.6 t80 -69.07 -14.83 63.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.458 0.703 . . . . 0.71 112.308 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -48.96 -31.42 7.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.342 1.057 . . . . 1.54 112.799 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.638 ' HB2' HD23 ' B' ' 63' ' ' LEU . 4.1 mmm-85 -63.79 -27.36 69.13 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.576 0.584 . . . . 2.15 112.576 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.682 ' HB2' HD21 ' B' ' 63' ' ' LEU . 13.3 tp -92.36 -33.19 14.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.076 0.398 . . . . 0.49 111.374 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -57.84 -39.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 109.987 -0.375 . . . . 0.56 109.987 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.47 -41.3 77.49 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 110.631 -0.987 . . . . 0.42 110.631 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.87 -24.25 66.82 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 122.778 0.431 . . . . 0.91 111.227 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.89 -53.7 46.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.146 -0.316 . . . . 0.69 110.146 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.88 -15.67 56.91 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.492 0.553 . . . . 0.55 112.492 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -86.8 -34.85 19.43 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.104 0.411 . . . . 1.1 110.653 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -91.18 31.22 1.14 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.645 0.378 . . . . 1.68 111.761 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.425 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.1 OUTLIER -104.67 -36.92 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.211 0.605 . . . . 0.63 109.791 178.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -115.75 -42.4 3.11 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.59 0.756 . . . . 1.64 111.443 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -105.55 42.11 1.28 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.607 0.241 . . . . 1.65 111.609 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.35 -43.11 61.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.687 -0.486 . . . . 2.03 109.687 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -131.95 61.27 1.66 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.94 -0.763 . . . . 1.36 108.94 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.45 70.95 3.07 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.57 0.7 . . . . 1.72 112.093 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -175.07 -45.9 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.134 -0.939 . . . . 1.27 109.368 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -82.23 -50.15 9.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.608 0.763 . . . . 1.61 110.237 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.65 148.19 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.073 0.549 . . . . 1.04 110.63 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -139.06 18.04 2.62 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.876 0.695 . . . . 2.42 112.876 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -160.01 110.23 1.86 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.081 0.4 . . . . 1.86 111.616 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 39.3 tttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.114 -0.946 . . . . 1.85 111.007 179.329 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.428 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 113.207 0.817 . . . . 2.71 113.207 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 156.44 18.04 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 117.961 0.346 . . . . 1.02 111.38 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' A' ' 14' ' ' GLU . . . -100.34 93.42 5.66 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 116.165 -0.471 . . . . 0.7 110.605 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.16 135.28 19.67 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 116.33 -0.395 . . . . 1.02 110.921 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.38 136.48 14.17 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.582 2.188 . . . . 0.74 113.066 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -132.21 -61.05 0.88 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.457 0.303 . . . . 1.19 111.126 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.0 167.85 10.18 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.566 -0.531 . . . . 0.98 109.566 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.93 -45.02 91.43 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.272 0.471 . . . . 1.42 112.272 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -72.22 -33.9 67.93 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.229 0.455 . . . . 0.65 112.229 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.85 -37.19 70.3 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.133 -0.321 . . . . 1.03 110.133 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.95 -28.52 65.64 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.235 0.614 . . . . 0.81 111.6 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -60.87 -53.4 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.865 0.466 . . . . 0.63 111.567 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -78.49 -17.43 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 112.057 0.392 . . . . 0.56 112.057 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 6.6 tm-20 -75.27 -34.61 61.36 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.238 0.615 . . . . 1.0 110.436 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.8 m -62.63 -35.13 78.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.242 0.617 . . . . 0.77 111.704 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.57 -28.85 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 122.37 0.268 . . . . 0.5 110.905 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -81.31 -55.4 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 122.853 0.461 . . . . 0.95 110.936 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -63.48 -35.34 80.15 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.931 1.085 . . . . 0.62 113.931 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.8 m -68.97 -41.87 77.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.394 0.516 . . . . 0.66 112.394 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -103.2 6.55 38.35 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.871 1.063 . . . . 0.95 113.871 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.42 -31.37 70.64 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.699 0.682 . . . . 3.17 110.938 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 m -57.94 -37.43 74.11 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.112 0.565 . . . . 1.37 112.351 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -95.14 -24.06 17.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.602 0.594 . . . . 1.55 112.602 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.27 -19.29 31.8 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.747 0.647 . . . . 0.83 112.747 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -79.44 -36.77 38.39 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.326 0.861 . . . . 1.55 113.326 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.36 -19.17 60.54 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.657 0.984 . . . . 1.8 113.657 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -133.91 118.27 17.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.446 0.566 . . . . 1.59 111.827 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.78 81.66 0.26 Allowed Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.53 -0.595 . . . . 0.92 114.426 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 58.12 172.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.599 0.76 . . . . 2.6 112.759 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.82 -47.24 9.23 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.621 -0.263 . . . . 1.22 111.226 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -98.34 46.29 1.0 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.923 0.392 . . . . 1.43 110.888 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -152.78 137.2 16.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.924 0.49 . . . . 1.09 110.628 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.54 160.15 17.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.6 0.36 . . . . 0.76 111.187 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -88.11 157.29 18.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.707 0.403 . . . . 0.68 110.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -73.48 -25.65 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 112.656 0.613 . . . . 0.64 112.656 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.64 -27.06 14.17 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.285 0.476 . . . . 0.82 112.285 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.91 -31.46 40.19 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.788 0.662 . . . . 1.54 112.788 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -66.29 -33.45 75.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.444 0.566 . . . . 0.65 111.195 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -65.81 -36.44 83.51 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.121 0.568 . . . . 0.87 110.733 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.59 -30.96 68.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.809 0.444 . . . . 0.73 110.909 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD11 HD11 ' B' ' 9' ' ' LEU . 21.7 tp -66.89 -32.62 74.0 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.774 0.429 . . . . 0.65 111.175 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.16 -23.71 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 122.898 0.479 . . . . 0.45 111.566 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -100.96 1.24 39.54 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 113.264 0.838 . . . . 0.8 113.264 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.52 -61.2 1.02 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.947 0.794 . . . . 1.1 112.575 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -97.02 -3.41 41.54 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.072 0.767 . . . . 0.84 113.072 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 56.61 3.52 Favored Pre-proline 0 CA--C 1.558 1.263 0 CA-C-N 118.192 0.451 . . . . 0.67 111.84 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -88.18 -32.07 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.252 1.968 . . . . 0.52 115.608 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -79.94 -15.97 56.21 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.63 0.974 . . . . 0.85 113.63 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.69 -56.63 4.36 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.264 0.484 . . . . 0.87 111.289 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.53 113.7 25.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.316 -0.624 . . . . 0.73 109.316 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -33.82 31.38 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 113.172 0.804 . . . . 1.32 113.172 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.25 93.73 8.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.606 0.362 . . . . 2.08 110.419 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.22 -32.33 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 116.46 -0.336 . . . . 0.71 111.631 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.47 -22.44 10.42 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.599 -0.556 . . . . 0.83 113.104 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -96.74 74.32 2.7 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 117.544 0.672 . . . . 0.85 111.475 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.75 13.5 34.26 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.982 0.513 . . . . 1.22 111.392 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.17 -36.64 74.82 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 117.962 0.346 . . . . 0.77 111.611 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.98 -28.15 65.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.441 0.296 . . . . 1.09 111.678 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.93 -45.52 9.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.361 0.264 . . . . 1.55 110.645 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 55.1 ttp -55.79 -33.5 64.44 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.645 0.609 . . . . 0.84 112.645 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -67.48 -42.68 82.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.239 0.215 . . . . 2.56 111.224 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -69.9 -32.72 71.18 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.089 0.243 . . . . 0.61 111.269 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.54 HD22 ' HA ' ' A' ' 76' ' ' TYR . 43.7 mt -72.43 -52.92 13.77 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.155 0.285 . . . . 0.68 110.815 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.17 63.39 8.08 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 120.935 0.398 . . . . 1.39 111.417 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.37 -31.47 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-N 116.288 -0.414 . . . . 0.73 110.269 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.65 -30.29 66.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.278 0.631 . . . . 1.44 110.758 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 64.17 78.68 0.28 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.269 1.028 . . . . 1.96 112.75 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -158.78 17.5 0.19 Allowed 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.698 0.629 . . . . 1.41 112.698 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 m 56.17 26.34 10.17 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.187 0.81 . . . . 1.31 113.187 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -135.96 98.72 3.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.69 0.396 . . . . 2.42 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -81.91 80.38 8.2 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.207 -0.451 . . . . 0.95 111.187 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -68.62 158.82 33.23 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.582 -0.895 . . . . 1.89 108.582 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -23.71 51.42 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 119.137 0.881 . . . . 1.2 113.013 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -68.89 -32.51 72.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 110.019 -0.363 . . . . 0.98 110.019 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.65 -40.13 9.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.604 0.762 . . . . 1.03 110.835 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.54 ' HA ' HD22 ' A' ' 63' ' ' LEU . 47.4 t80 -69.4 -10.83 59.7 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.028 0.931 . . . . 0.69 112.308 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -19.49 61.76 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.723 0.638 . . . . 1.62 112.723 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' A' ' 63' ' ' LEU . 1.5 mmt180 -70.66 -29.56 65.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.016 0.371 . . . . 1.96 111.623 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.497 ' HB2' HD21 ' A' ' 63' ' ' LEU . 21.1 tp -84.52 -32.99 23.6 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 119.466 -0.302 . . . . 0.53 110.358 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 76' ' ' TYR . 46.6 mm -68.29 -31.97 53.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 109.483 -0.562 . . . . 0.61 109.483 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.74 96.09 Favored Glycine 0 C--N 1.358 1.785 0 N-CA-C 111.36 -0.696 . . . . 0.47 111.36 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -80.28 -26.25 39.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.14 0.576 . . . . 0.86 110.095 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.41 -45.42 91.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.683 0.793 . . . . 0.67 111.428 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.071 0.397 . . . . 0.55 112.071 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -75.22 -31.38 60.85 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 119.611 -0.233 . . . . 0.96 111.531 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -97.24 32.24 2.25 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.062 0.764 . . . . 1.65 113.062 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 3' ' ' ALA . 0.2 OUTLIER -102.73 -40.31 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 108.427 -0.953 . . . . 0.66 108.427 176.698 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -32.88 12.62 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.467 0.707 . . . . 1.74 111.821 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -130.05 61.2 1.58 Allowed 'General case' 0 C--N 1.36 1.047 0 N-CA-C 112.503 0.557 . . . . 1.52 112.503 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -36.24 56.8 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.607 -0.516 . . . . 1.87 109.607 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -139.36 51.27 1.77 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.651 -0.87 . . . . 1.53 108.651 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -50.81 -34.08 26.17 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.149 1.166 . . . . 1.81 114.149 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.011 0.194 . . . . 1.24 111.52 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -97.88 -55.08 2.9 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.031 0.532 . . . . 1.73 111.527 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.46 131.12 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.245 0.618 . . . . 1.06 111.9 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -137.19 31.29 2.66 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.354 0.502 . . . . 2.26 112.354 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -159.71 94.08 1.12 Allowed 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.22 -0.3 . . . . 1.74 111.034 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.9 tttp . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.859 0.362 . . . . 1.71 110.679 -179.512 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 CA--C 1.549 0.927 0 CA-C-O 120.407 0.146 . . . . 1.75 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 143.06 47.31 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 122.809 0.443 . . . . 0.78 111.08 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.49 ' HA ' HD12 ' A' ' 87' ' ' ILE . . . -92.68 112.62 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.404 0.281 . . . . 0.69 111.378 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.93 132.54 26.87 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 122.767 0.427 . . . . 1.1 110.387 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.95 130.28 28.67 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.79 2.327 . . . . 0.83 113.359 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -132.41 -147.38 0.31 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.397 0.679 . . . . 1.24 110.513 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -57.66 161.85 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 119.28 0.946 . . . . 1.06 112.013 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.6 -48.49 7.62 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 113.957 1.095 . . . . 1.51 113.957 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 41' ' ' LEU . 91.2 mt -67.86 -42.69 80.93 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 117.899 0.318 . . . . 0.65 111.283 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.8 -28.37 65.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.457 0.303 . . . . 0.95 111.109 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.6 -27.49 60.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.218 0.607 . . . . 0.85 110.76 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -59.56 -48.86 80.0 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.005 0.522 . . . . 0.56 111.6 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.467 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.9 pp -78.87 -27.48 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 122.411 0.284 . . . . 0.53 111.536 178.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.467 ' N ' HD12 ' B' ' 13' ' ' ILE . 5.8 tm-20 -68.84 -41.34 78.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.349 0.66 . . . . 1.0 110.852 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 15.5 p -61.54 -32.0 72.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.791 0.437 . . . . 0.88 112.021 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.28 -29.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 122.21 0.204 . . . . 0.56 110.624 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.31 -59.49 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-O 119.595 -0.24 . . . . 0.97 110.888 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -57.98 -39.76 78.99 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 113.767 1.025 . . . . 0.67 113.767 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -67.16 -27.04 66.97 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.607 0.595 . . . . 0.69 112.607 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -129.43 32.57 4.63 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.165 0.802 . . . . 1.02 113.165 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.37 -34.36 14.91 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.507 -0.553 . . . . 3.08 109.507 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.4 m -60.2 -39.03 85.12 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.291 0.637 . . . . 1.37 111.439 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -78.57 -37.97 41.34 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.719 0.408 . . . . 1.54 110.523 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.7 -23.47 67.26 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.766 0.654 . . . . 0.85 112.766 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -91.52 17.78 8.21 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.274 0.472 . . . . 1.73 112.274 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -91.82 -43.11 9.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 122.691 0.396 . . . . 1.68 111.232 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -103.82 -171.5 1.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.122 0.569 . . . . 1.45 110.706 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.13 136.79 5.29 Favored Glycine 0 C--N 1.363 2.062 0 N-CA-C 115.274 0.87 . . . . 0.86 115.274 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 64.77 147.97 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.355 1.062 . . . . 2.62 111.896 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -87.95 -33.72 18.34 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.236 0.458 . . . . 1.11 112.236 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -100.35 36.89 1.78 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.996 0.369 . . . . 1.36 111.996 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -144.03 142.59 30.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.242 0.217 . . . . 1.13 111.536 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.5 mp -90.39 165.13 14.02 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.177 -0.465 . . . . 0.79 110.255 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.6 t -105.45 159.88 15.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.72 0.408 . . . . 0.69 110.248 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.16 -33.89 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 111.701 0.26 . . . . 0.71 111.701 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.11 -29.94 43.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.204 0.201 . . . . 0.83 111.535 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.75 -43.21 66.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.632 0.373 . . . . 1.61 111.953 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -36.49 73.09 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.273 0.229 . . . . 0.66 111.367 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -60.7 -40.47 92.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.901 0.48 . . . . 0.81 111.179 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.68 -24.85 38.61 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.524 0.33 . . . . 0.69 111.292 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.39 -46.07 71.02 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.495 0.318 . . . . 0.68 110.766 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.29 -27.24 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 122.386 0.274 . . . . 0.48 111.32 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -100.93 33.13 2.92 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 112.218 0.451 . . . . 0.83 112.218 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -159.8 -60.82 0.07 Allowed 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.772 -0.58 . . . . 0.98 112.427 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -100.77 -11.57 19.78 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 112.724 0.638 . . . . 0.73 112.724 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.8 tp -135.07 47.78 2.52 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 118.083 0.401 . . . . 0.62 111.613 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -83.15 -37.67 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 122.563 2.175 . . . . 0.48 115.361 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -71.41 -34.2 70.13 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.297 0.48 . . . . 0.81 112.297 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.49 -59.38 4.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.282 0.233 . . . . 0.88 110.882 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -88.0 99.6 12.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 116.348 -0.387 . . . . 0.7 110.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -53.42 -34.9 59.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.192 0.597 . . . . 1.23 112.356 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.11 82.03 5.05 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.156 0.582 . . . . 1.94 110.412 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 m -86.13 -23.18 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.693 0.627 . . . . 0.6 112.693 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.67 -44.19 4.95 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.917 -0.379 . . . . 0.67 113.676 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 70.34 6.86 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 117.097 0.449 . . . . 0.92 111.672 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.81 -16.9 60.69 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 119.538 -0.267 . . . . 1.24 110.93 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -50.67 -33.16 21.49 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.777 0.658 . . . . 0.73 112.777 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.36 -42.04 94.96 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 117.631 0.196 . . . . 1.1 110.732 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 38.83 2.44 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.012 0.525 . . . . 1.47 110.487 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttt -113.08 -52.91 2.75 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.26 0.624 . . . . 0.81 109.846 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -70.38 -26.93 63.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.706 0.403 . . . . 2.39 110.711 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -71.59 -34.8 70.21 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 123.123 0.569 . . . . 0.63 110.952 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' B' ' 78' ' ' ARG . 65.7 mt -75.56 -66.15 0.81 Allowed 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.978 -0.378 . . . . 0.69 109.978 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -81.59 82.86 7.21 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 109.346 -0.613 . . . . 1.32 109.346 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.3 -29.96 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 115.493 -0.776 . . . . 0.72 112.175 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -73.6 -13.26 60.98 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.304 0.483 . . . . 1.38 112.304 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 66.29 75.63 0.33 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.701 0.801 . . . . 2.02 112.226 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.56 10.23 0.64 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 112.423 0.527 . . . . 1.3 112.423 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 57.08 31.46 20.0 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 113.003 0.742 . . . . 1.35 113.003 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -134.53 137.62 43.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.656 0.383 . . . . 2.4 110.962 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.06 66.66 0.76 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.192 -0.458 . . . . 1.13 110.221 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -61.71 161.01 10.66 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.67 -0.863 . . . . 1.81 108.67 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -22.89 64.81 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.294 0.952 . . . . 1.23 113.38 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -75.85 -33.19 60.01 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.345 0.521 . . . . 0.99 109.634 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.5 -39.03 16.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.142 0.577 . . . . 0.93 110.235 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.494 ' HA ' HD22 ' B' ' 63' ' ' LEU . 47.1 t80 -68.05 -18.53 64.71 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.076 . . . . 0.71 110.439 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -41.96 -37.74 1.41 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.792 1.637 . . . . 1.54 113.579 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.536 ' HB2' HD23 ' B' ' 63' ' ' LEU . 22.2 mmm-85 -67.38 -30.95 70.87 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.508 0.558 . . . . 2.15 112.508 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' HD21 ' B' ' 63' ' ' LEU . 11.0 tp -77.07 -29.77 55.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.166 0.439 . . . . 0.49 110.538 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -62.01 -40.73 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.15 0.58 . . . . 0.56 110.23 178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.49 -32.55 71.53 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 111.821 -0.512 . . . . 0.42 111.821 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.6 -7.42 59.51 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.943 0.497 . . . . 0.91 111.694 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -51.85 8.85 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 122.952 0.501 . . . . 0.69 110.854 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.43 40.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.759 0.651 . . . . 0.55 112.759 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -67.83 -40.21 83.78 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 117.982 0.356 . . . . 1.1 110.77 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -75.32 -20.89 58.82 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.518 0.562 . . . . 1.68 112.518 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.95 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.523 0.601 . . . . 0.63 111.468 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 4.11 15.21 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.183 0.808 . . . . 1.64 113.183 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -168.33 67.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.787 0.721 . . . . 1.65 112.429 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -84.57 -38.08 20.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.48 -0.327 . . . . 2.03 110.286 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -136.07 80.39 1.82 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.45 -0.944 . . . . 1.36 108.45 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -85.42 59.29 5.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.24 0.543 . . . . 1.72 112.073 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 tp -171.89 -49.62 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.701 -0.681 . . . . 1.27 110.065 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -76.98 -45.76 26.3 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.515 0.326 . . . . 1.61 110.506 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pp -133.63 108.1 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 122.905 0.482 . . . . 1.04 110.319 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -113.66 37.23 3.31 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.004 0.372 . . . . 2.42 112.004 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.37 90.13 0.27 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.399 0.518 . . . . 1.86 112.399 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 1.85 110.098 178.237 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.427 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.484 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.291 0.567 . . . . 2.71 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.46 131.32 17.07 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.628 -0.715 . . . . 1.02 110.813 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.7 113.16 24.7 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.153 0.283 . . . . 0.7 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -117.24 135.7 23.21 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.613 0.365 . . . . 1.02 110.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.39 131.63 15.3 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.73 2.287 . . . . 0.74 113.7 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -123.93 -61.82 1.34 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.191 0.596 . . . . 1.19 110.147 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -115.98 159.41 21.66 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.922 -0.769 . . . . 0.98 108.922 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.83 -38.25 72.37 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.258 0.466 . . . . 1.42 112.258 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.0 mt -71.55 -37.24 71.12 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.644 0.202 . . . . 0.65 111.118 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.71 -29.9 63.75 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.825 -0.435 . . . . 1.03 109.825 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.16 -32.62 73.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 123.802 0.841 . . . . 0.81 111.474 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -57.2 -55.46 34.47 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.167 0.432 . . . . 0.63 112.167 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.559 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.8 pp -75.51 -26.02 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 111.801 0.297 . . . . 0.56 111.801 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.9 tm-20 -66.38 -42.08 88.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.992 0.517 . . . . 1.0 111.258 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.5 m -63.09 -27.1 69.16 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.615 0.598 . . . . 0.77 112.615 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 t -69.12 -32.71 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 122.357 0.263 . . . . 0.5 111.11 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.1 t -84.95 -47.89 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.626 0.37 . . . . 0.95 111.098 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -62.43 -41.63 98.85 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.735 1.013 . . . . 0.62 113.735 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.11 -43.05 79.31 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.382 0.512 . . . . 0.66 112.382 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 41' ' ' LEU . 6.4 t80 -107.91 46.47 0.95 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.772 0.32 . . . . 0.95 111.529 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -92.6 -48.37 6.64 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.581 -0.281 . . . . 3.17 110.95 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -33.16 64.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.992 0.367 . . . . 1.37 111.992 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -79.27 -36.91 39.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 122.554 0.342 . . . . 1.55 110.985 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.44 69.61 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.251 0.834 . . . . 0.83 113.251 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -83.75 1.45 42.75 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.86 0.689 . . . . 1.55 112.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -73.99 -43.5 57.86 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.151 0.432 . . . . 1.8 111.929 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -137.96 123.52 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.835 0.309 . . . . 1.59 111.835 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.37 106.22 0.04 OUTLIER Glycine 0 C--N 1.351 1.413 0 CA-C-O 119.737 -0.479 . . . . 0.92 114.045 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 50.34 -175.77 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.643 0.979 . . . . 2.6 113.643 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -99.89 -42.48 6.78 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.991 0.516 . . . . 1.22 112.021 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.71 47.18 0.89 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.023 0.439 . . . . 1.43 111.553 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 p -147.96 123.4 10.35 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 116.047 -0.524 . . . . 1.09 110.08 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.88 170.13 17.05 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.501 -0.318 . . . . 0.76 110.769 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -105.12 158.38 16.61 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.844 -0.428 . . . . 0.68 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -30.02 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.578 0.585 . . . . 0.64 112.578 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -91.69 -33.72 14.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.534 0.334 . . . . 0.82 111.806 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.77 -35.13 69.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.671 0.619 . . . . 1.54 112.671 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -37.88 70.16 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.223 0.465 . . . . 0.65 110.183 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -58.96 -33.87 71.14 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.488 0.715 . . . . 0.87 111.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.91 -37.17 70.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.583 0.353 . . . . 0.73 111.499 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 20' ' ' PHE . 15.8 tp -65.11 -32.28 73.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.973 0.509 . . . . 0.65 112.079 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.5 -34.04 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 122.558 0.343 . . . . 0.45 110.781 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 34.13 3.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.665 0.386 . . . . 0.8 111.633 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -147.49 -56.44 0.24 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.162 0.43 . . . . 1.1 112.162 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -120.51 -2.57 9.96 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.302 0.853 . . . . 0.84 113.302 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -138.07 42.24 0.59 Allowed Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 118.351 0.523 . . . . 0.67 112.213 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 86.4 Cg_endo -80.11 -38.91 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.078 1.852 . . . . 0.52 114.092 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -67.06 -33.41 75.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.016 0.376 . . . . 0.85 112.016 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.39 -53.44 29.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.369 0.268 . . . . 0.87 110.555 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.5 mt -101.31 93.99 5.7 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.936 -0.764 . . . . 0.73 108.936 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.3 -36.91 69.2 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.577 0.954 . . . . 1.32 113.577 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -87.86 73.51 9.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.985 0.422 . . . . 2.08 110.517 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -77.63 -32.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.861 -0.609 . . . . 0.71 112.084 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.78 19.72 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-O 119.988 -0.34 . . . . 0.83 113.856 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -97.24 74.67 2.53 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.167 0.508 . . . . 0.85 110.944 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -8.15 52.97 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.764 -0.653 . . . . 1.22 111.005 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.35 -33.84 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.099 0.777 . . . . 0.77 113.099 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.56 -46.63 88.35 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 117.83 0.286 . . . . 1.09 111.013 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.58 -18.5 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.103 0.409 . . . . 1.55 112.103 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.9 ttp -69.18 -41.3 77.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.544 0.338 . . . . 0.84 111.278 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -59.14 -33.62 71.1 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 122.953 0.158 . . . . 2.56 111.124 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 m -70.05 -37.94 75.68 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 110.289 -0.263 . . . . 0.61 110.289 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 79' ' ' LEU . 52.5 mt -66.89 -49.23 66.26 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 110.272 -0.27 . . . . 0.68 110.272 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.43 63.68 2.15 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.368 -0.605 . . . . 1.39 109.368 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.84 -22.25 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.019 0 CA-C-N 116.062 -0.517 . . . . 0.73 112.367 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -85.61 -15.1 43.62 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.97 0.359 . . . . 1.44 111.97 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 60.89 73.75 0.47 Allowed 'General case' 0 C--N 1.361 1.078 0 C-N-CA 123.822 0.849 . . . . 1.96 111.831 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -149.12 15.96 0.93 Allowed 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 115.86 -0.609 . . . . 1.41 112.39 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 m 55.69 25.74 8.56 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 113.12 0.785 . . . . 1.31 113.12 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -123.35 152.45 41.48 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.711 0.404 . . . . 2.42 110.723 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -128.87 55.17 1.74 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.901 -0.59 . . . . 0.95 110.889 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -58.8 159.01 7.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.312 0.645 . . . . 1.89 110.717 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -28.05 66.53 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.524 0.602 . . . . 1.2 112.415 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -24.79 62.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.512 0.325 . . . . 0.98 110.537 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.63 -32.32 10.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.708 0.803 . . . . 1.03 110.778 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.592 ' HA ' HD22 ' A' ' 63' ' ' LEU . 19.5 t80 -76.92 -15.2 59.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.789 0.836 . . . . 0.69 111.31 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -22.89 42.26 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.606 0.762 . . . . 1.62 112.033 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB2' HD23 ' A' ' 63' ' ' LEU . 17.0 mmm180 -64.02 -33.81 76.58 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.433 0.293 . . . . 1.96 110.95 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.741 ' HB2' HD21 ' A' ' 63' ' ' LEU . 8.6 tp -86.82 -36.07 18.72 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 119.504 -0.284 . . . . 0.53 110.74 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.2 -38.76 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 122.445 0.298 . . . . 0.61 110.257 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.28 -41.07 94.86 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 111.125 -0.79 . . . . 0.47 111.125 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.6 -26.07 64.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.652 0.381 . . . . 0.86 110.795 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.83 -48.43 76.83 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.591 -0.522 . . . . 0.67 109.591 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -83.0 -12.53 57.19 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.124 0.569 . . . . 0.55 112.522 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.632 0.373 . . . . 0.96 110.829 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -74.73 -11.24 60.12 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.411 0.523 . . . . 1.65 112.411 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.613 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -63.58 -31.3 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 122.507 0.323 . . . . 0.66 111.427 179.161 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -39.83 3.15 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.316 0.858 . . . . 1.74 113.316 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -111.77 40.24 2.18 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.237 1.199 . . . . 1.52 114.237 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -68.1 -39.35 82.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.718 -0.475 . . . . 1.87 109.718 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -140.34 57.87 1.58 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.356 -0.979 . . . . 1.53 108.356 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.8 -25.24 68.14 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 113.263 0.838 . . . . 1.81 113.263 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -80.12 -36.23 35.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 111.801 0.297 . . . . 1.24 111.801 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -80.49 -45.99 16.6 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.838 0.455 . . . . 1.73 111.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 pt -125.24 154.37 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.22 0.608 . . . . 1.06 110.957 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -146.57 26.12 1.17 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 112.846 0.684 . . . . 2.26 112.846 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -169.73 93.04 0.24 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.488 0.315 . . . . 1.74 111.481 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.992 0.425 . . . . 1.71 110.407 179.164 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 121.306 0.574 . . . . 1.75 110.343 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 155.46 39.25 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.597 -0.729 . . . . 0.78 111.592 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.32 103.83 13.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.765 0.426 . . . . 0.69 111.336 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' B' ' 5' ' ' PRO . 42.6 tt0 -112.63 137.16 21.61 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 122.688 0.395 . . . . 1.1 111.338 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 4' ' ' GLU . 15.0 Cg_exo -68.14 129.93 20.39 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.658 2.238 . . . . 0.83 112.85 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.77 -107.39 0.33 Allowed 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 118.966 -0.54 . . . . 1.24 110.345 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.6 p -93.32 -177.41 4.43 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 118.95 0.795 . . . . 1.06 110.357 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.24 -50.89 68.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.621 0.6 . . . . 1.51 112.621 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 41' ' ' LEU . 77.7 mt -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 111.742 0.275 . . . . 0.65 111.742 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.45 -34.12 72.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.575 0.35 . . . . 0.95 111.287 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -70.57 -26.7 63.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 122.317 0.247 . . . . 0.85 111.038 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -54.47 -59.83 4.16 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.695 0.398 . . . . 0.56 111.911 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -71.92 -30.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 123.021 0.201 . . . . 0.53 111.399 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.544 ' N ' HD12 ' B' ' 13' ' ' ILE . 8.1 tm-20 -65.98 -34.11 77.35 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.161 0.584 . . . . 1.0 111.346 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 40.7 m -68.78 -29.47 67.85 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.372 0.269 . . . . 0.88 111.308 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.79 -33.75 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 110.072 -0.344 . . . . 0.56 110.072 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' PHE . 41.0 t -74.64 -56.74 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 122.709 0.404 . . . . 0.97 110.196 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -52.66 -33.73 48.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.213 1.19 . . . . 0.67 114.213 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -77.53 -37.66 50.42 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.232 0.827 . . . . 0.69 113.232 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' B' ' 41' ' ' LEU . 9.1 t80 -122.94 27.05 7.86 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.998 1.11 . . . . 1.02 113.998 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 37.2 t80 -86.25 -31.45 21.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.644 -0.502 . . . . 3.08 109.644 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.0 m -58.64 -41.11 85.25 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 122.648 0.379 . . . . 1.37 110.3 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.9 -32.5 57.47 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.283 0.364 . . . . 1.54 110.25 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.37 73.8 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 122.925 0.49 . . . . 0.85 112.198 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -94.63 27.97 2.83 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.271 0.228 . . . . 1.73 111.541 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -91.12 -43.04 10.13 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.067 0.547 . . . . 1.68 110.085 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -101.07 -166.19 1.28 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.088 -0.708 . . . . 1.45 109.088 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.64 150.45 26.77 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 118.257 0.48 . . . . 0.86 113.265 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 64.77 134.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 2.62 111.647 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -78.11 -47.32 18.48 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.239 0.459 . . . . 1.11 112.239 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.8 60.71 2.97 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.831 0.348 . . . . 1.36 110.53 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -158.68 139.09 12.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.672 0.619 . . . . 1.13 112.672 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.0 125.1 41.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.365 -0.976 . . . . 0.79 108.365 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -68.01 166.42 15.89 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 111.953 0.353 . . . . 0.69 111.953 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -55.95 -37.25 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 112.77 0.656 . . . . 0.71 112.77 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -106.15 50.4 0.78 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.035 0.445 . . . . 0.83 110.537 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.42 -49.51 0.54 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.905 0.482 . . . . 1.61 110.814 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -68.16 -33.45 74.49 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.193 -0.299 . . . . 0.66 110.193 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -66.24 -38.8 88.74 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 122.541 0.337 . . . . 0.81 110.32 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.6 -35.28 75.17 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 110.035 -0.357 . . . . 0.69 110.035 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' B' ' 20' ' ' PHE . 29.8 tp -65.08 -42.46 94.07 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.744 0.418 . . . . 0.68 110.554 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.424 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 79.9 t -73.06 -25.18 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 O-C-N 123.331 0.394 . . . . 0.48 111.646 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -112.15 40.45 2.19 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 112.288 0.477 . . . . 0.83 112.288 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -160.32 -65.53 0.07 Allowed 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.948 -0.47 . . . . 0.98 111.35 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -106.59 -5.11 18.93 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.063 0.394 . . . . 0.73 112.063 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 10.9 tp -135.39 42.64 0.78 Allowed Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 112.031 0.382 . . . . 0.62 112.031 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.42 -34.23 0.82 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 C-N-CA 122.589 2.193 . . . . 0.48 114.452 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.43 -13.88 60.42 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.868 0.692 . . . . 0.81 112.868 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.0 -59.09 2.92 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.904 0.32 . . . . 0.88 110.788 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.41 112.15 23.99 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.597 -0.89 . . . . 0.7 108.597 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -54.82 -35.88 64.39 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.986 0.735 . . . . 1.23 112.986 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.26 86.79 6.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.589 0.356 . . . . 1.94 110.158 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.95 -22.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.63 0.604 . . . . 0.6 112.63 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.0 -66.65 1.44 Allowed Glycine 0 C--N 1.351 1.406 0 CA-C-O 119.808 -0.44 . . . . 0.67 113.073 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -78.27 88.13 4.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.166 0.483 . . . . 0.92 111.212 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -98.24 -1.17 42.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.223 0.609 . . . . 1.24 111.899 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.34 -26.48 65.63 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.635 0.605 . . . . 0.73 112.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.96 -33.45 74.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.732 0.413 . . . . 1.1 110.613 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.26 -30.68 12.84 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.245 0.618 . . . . 1.47 110.826 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.5 ttp -52.6 -46.32 66.92 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.563 0.579 . . . . 0.81 112.563 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -66.31 -36.26 82.49 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 117.636 0.198 . . . . 2.39 111.163 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -69.43 -34.89 75.1 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.728 0.411 . . . . 0.63 110.683 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' B' ' 78' ' ' ARG . 19.6 mt -71.58 -63.8 1.05 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 122.952 0.501 . . . . 0.69 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.74 82.23 6.79 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.969 0.414 . . . . 1.32 110.393 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.28 -31.2 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 115.841 -0.618 . . . . 0.72 112.441 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.34 -14.38 59.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.79 0.663 . . . . 1.38 112.79 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 61.58 59.75 1.78 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.664 0.785 . . . . 2.02 111.876 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -121.73 8.86 10.04 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.929 -0.578 . . . . 1.3 111.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t 70.56 -63.86 0.39 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.899 0.88 . . . . 1.35 111.693 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -70.67 120.21 15.95 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.578 0.351 . . . . 2.4 110.197 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tp -80.02 108.13 13.35 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.908 0.483 . . . . 1.13 111.828 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -78.39 167.84 20.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.804 -0.813 . . . . 1.81 108.804 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -29.5 70.16 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.793 0.724 . . . . 1.23 111.777 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.17 -30.92 69.23 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.717 -0.475 . . . . 0.99 109.717 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.15 -36.2 27.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.979 -0.378 . . . . 0.93 109.979 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -72.81 -16.35 61.62 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.454 0.701 . . . . 0.71 111.213 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -52.86 -31.03 37.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.939 1.296 . . . . 1.54 112.82 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.637 ' HB2' HD23 ' B' ' 63' ' ' LEU . 10.2 mmm-85 -68.1 -31.25 70.73 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.019 0.378 . . . . 2.15 112.019 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' B' ' 63' ' ' LEU . 8.8 tp -80.87 -36.74 30.94 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.645 -0.502 . . . . 0.49 109.645 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.31 -36.82 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.018 0.527 . . . . 0.56 110.386 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.55 57.05 Favored Glycine 0 C--N 1.355 1.627 0 N-CA-C 111.749 -0.54 . . . . 0.42 111.749 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.68 -26.37 60.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.901 0.481 . . . . 0.91 111.565 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mp -57.34 -50.68 72.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.188 0.595 . . . . 0.69 111.291 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -82.62 -18.7 40.24 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.268 0.47 . . . . 0.55 112.268 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -78.87 -31.49 45.58 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.903 0.481 . . . . 1.1 111.726 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.81 -5.15 39.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.025 0.75 . . . . 1.68 113.025 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.43 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -80.1 -45.46 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 118.571 0.623 . . . . 0.63 110.363 178.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.06 -42.01 33.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.46 0.304 . . . . 1.64 111.711 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -145.18 84.89 1.72 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.486 0.55 . . . . 1.65 112.486 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -38.81 65.0 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.982 -0.377 . . . . 2.03 109.982 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -121.99 78.79 1.51 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.248 -1.019 . . . . 1.36 108.248 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -75.92 68.15 2.39 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.431 0.634 . . . . 1.72 112.029 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -175.28 -46.53 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.326 -0.852 . . . . 1.27 110.467 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.94 -54.91 4.21 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.412 0.685 . . . . 1.61 111.5 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.27 137.57 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.69 0.396 . . . . 1.04 111.351 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -159.89 62.65 0.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 112.343 0.498 . . . . 2.42 112.343 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -171.01 47.73 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.975 0.51 . . . . 1.86 111.7 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.9 tttp . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.163 -0.922 . . . . 1.85 110.884 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ANW . . . . . 0.46 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ANW . . . . . 0.401 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 113.074 0.768 . . . . 2.71 113.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.62 152.39 30.42 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.976 0.353 . . . . 1.02 111.098 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.83 22.28 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.512 0.325 . . . . 0.7 111.266 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -99.95 139.59 20.89 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 122.96 0.504 . . . . 1.02 110.569 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.27 137.3 79.85 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 122.809 2.339 . . . . 0.74 114.063 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -137.68 -149.14 0.29 Allowed 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 123.387 0.675 . . . . 1.19 110.82 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -59.33 162.58 4.57 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 119.069 0.85 . . . . 0.98 111.546 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -44.24 -52.01 7.81 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.535 0.939 . . . . 1.42 113.535 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.48 -36.45 71.15 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 117.907 0.321 . . . . 0.65 111.823 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.24 -31.75 66.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.401 0.28 . . . . 1.03 111.234 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -78.8 -22.1 46.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.205 0.602 . . . . 0.81 111.752 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -61.4 -54.03 48.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.093 0.406 . . . . 0.63 110.347 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.7 pp -70.18 -21.69 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 111.713 0.264 . . . . 0.56 111.713 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -75.03 -39.12 61.24 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.047 0.539 . . . . 1.0 111.302 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -63.87 -33.61 76.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.635 0.374 . . . . 0.77 111.384 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.56 -33.68 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 122.637 0.375 . . . . 0.5 110.142 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.6 t -74.49 -59.42 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.011 0.524 . . . . 0.95 110.565 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.6 p -51.18 -40.14 57.97 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.574 1.324 . . . . 0.62 114.574 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -72.14 -56.87 4.83 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.189 0.811 . . . . 0.66 113.189 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.08 -20.8 47.9 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.919 1.081 . . . . 0.95 113.919 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.03 -21.62 62.25 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 119.016 0.825 . . . . 3.17 112.417 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -68.37 -33.51 74.4 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.184 0.447 . . . . 1.37 110.574 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.63 -35.34 11.09 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.294 0.637 . . . . 1.55 111.356 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.61 53.81 1.92 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.867 0.467 . . . . 0.83 112.143 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -134.18 17.03 3.76 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.73 0.412 . . . . 1.55 111.677 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -112.47 -45.81 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.582 0.353 . . . . 1.8 111.412 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -90.82 97.78 11.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.592 0.357 . . . . 1.59 111.8 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.26 81.62 0.66 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 114.337 0.495 . . . . 0.92 114.337 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 58.31 173.8 0.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.929 0.892 . . . . 2.6 113.229 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -92.52 -43.49 9.13 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.072 0.549 . . . . 1.22 111.106 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.14 -30.91 70.15 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.37 0.419 . . . . 1.43 111.883 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -90.93 150.26 21.57 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 120.742 0.306 . . . . 1.09 111.476 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.1 168.84 10.21 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.882 -0.599 . . . . 0.76 110.575 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -95.44 166.67 11.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.643 0.377 . . . . 0.68 111.749 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.5 -37.24 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 116.287 -0.415 . . . . 0.64 111.244 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.41 -43.68 31.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.723 0.268 . . . . 0.82 111.723 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.32 -28.87 70.3 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.417 0.287 . . . . 1.54 111.626 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -66.95 -37.42 84.25 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 122.508 0.323 . . . . 0.65 110.288 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.33 -36.0 81.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.867 0.467 . . . . 0.87 111.156 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.18 -30.34 38.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.466 0.306 . . . . 0.73 111.494 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.72 -46.15 86.7 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.59 0.356 . . . . 0.65 110.823 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.42 -26.96 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 122.652 0.381 . . . . 0.45 111.656 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -102.79 32.6 3.58 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 112.223 0.453 . . . . 0.8 112.223 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -160.61 -63.71 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.738 -0.601 . . . . 1.1 112.36 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -100.07 -3.51 31.8 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.115 0.783 . . . . 0.84 113.115 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.4 tt -142.07 57.35 6.59 Favored Pre-proline 0 CA--C 1.561 1.399 0 CA-C-N 118.014 0.37 . . . . 0.67 110.171 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 18.2 Cg_endo -92.23 -63.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.845 2.364 . . . . 0.52 115.184 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -49.71 -33.16 15.17 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.962 1.097 . . . . 0.85 113.962 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 87' ' ' ILE . 11.1 tp -68.39 -54.23 18.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.299 0.24 . . . . 0.87 110.912 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.95 103.73 15.6 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.585 -0.894 . . . . 0.73 108.585 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -50.13 -37.19 33.15 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.335 1.235 . . . . 1.32 114.335 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -95.88 96.96 9.28 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 122.394 0.277 . . . . 2.08 111.64 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.73 -1.13 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 111.753 0.279 . . . . 0.71 111.753 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.89 -33.41 1.39 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 119.597 -0.557 . . . . 0.83 112.418 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.5 t -87.06 74.27 9.7 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 117.316 0.558 . . . . 0.85 110.782 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.78 49.16 0.81 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.774 0.43 . . . . 1.22 110.288 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.33 -43.11 4.19 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.383 -0.371 . . . . 0.77 111.232 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -72.34 -28.18 62.88 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.39 0.515 . . . . 1.09 112.39 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -89.79 -39.75 12.91 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.993 0.368 . . . . 1.55 111.993 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.1 ttp -60.26 -39.11 85.62 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.399 0.518 . . . . 0.84 112.399 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -68.38 -40.25 81.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.014 0.126 . . . . 2.56 111.17 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -69.65 -28.8 66.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.654 0.382 . . . . 0.61 111.619 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 76' ' ' TYR . 43.1 mt -72.37 -64.68 0.9 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.425 0.29 . . . . 0.68 110.393 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -83.8 73.89 10.25 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.808 0.337 . . . . 1.39 110.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.39 -26.17 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 116.179 -0.464 . . . . 0.73 112.053 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -71.31 -23.38 61.93 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.51 0.324 . . . . 1.44 111.825 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 63.53 71.6 0.49 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 123.719 0.807 . . . . 1.96 111.369 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -144.08 12.15 1.59 Allowed 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.844 -0.616 . . . . 1.41 111.935 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 t 58.04 29.79 18.28 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 123.497 0.719 . . . . 1.31 112.459 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.23 114.41 8.24 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.024 0.53 . . . . 2.42 109.98 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.16 85.46 5.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.678 0.275 . . . . 0.95 111.074 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -68.27 162.39 25.18 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 108.15 -1.056 . . . . 1.89 108.15 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -22.74 65.68 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.558 1.072 . . . . 1.2 112.191 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.84 -32.52 65.54 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 109.674 -0.491 . . . . 0.98 109.674 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -87.25 -42.01 13.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.592 0.757 . . . . 1.03 110.224 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.562 ' HA ' HD22 ' A' ' 63' ' ' LEU . 24.7 t80 -62.44 -20.73 64.81 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.968 0.907 . . . . 0.69 110.967 177.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -39.79 -37.93 0.6 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.92 1.688 . . . . 1.62 113.64 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.1 mmm180 -61.36 -23.85 66.06 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.402 0.89 . . . . 1.96 113.402 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' HB2' HD21 ' A' ' 63' ' ' LEU . 5.9 tp -90.41 -34.87 15.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.29 0.496 . . . . 0.53 111.291 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.62 -37.12 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 110.002 -0.37 . . . . 0.61 110.002 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.74 -34.44 77.95 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 111.713 -0.555 . . . . 0.47 111.713 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.31 -21.32 46.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.733 0.413 . . . . 0.86 111.086 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -52.02 66.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.197 0.599 . . . . 0.67 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -77.04 -22.7 52.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.069 0.396 . . . . 0.55 112.069 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.82 -44.68 55.02 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.946 -0.39 . . . . 0.96 109.946 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.64 -17.52 61.66 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 112.395 0.517 . . . . 1.65 112.395 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.73 -32.65 58.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-N 118.184 0.447 . . . . 0.66 111.525 178.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -113.07 -37.84 4.66 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.827 0.677 . . . . 1.74 112.827 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -122.69 72.74 1.09 Allowed 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.735 0.302 . . . . 1.52 111.788 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -91.17 -42.6 10.35 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.859 -0.423 . . . . 1.87 109.859 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -127.62 61.31 1.41 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.535 0.734 . . . . 1.53 109.239 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.37 73.49 3.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.093 0.473 . . . . 1.81 111.387 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 tp -166.67 -54.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.912 -0.585 . . . . 1.24 110.888 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -95.86 -37.06 10.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.975 0.51 . . . . 1.73 111.427 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.95 143.14 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.549 0.339 . . . . 1.06 111.67 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -152.22 51.48 0.78 Allowed 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.009 0.433 . . . . 2.26 111.43 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -159.31 84.48 0.78 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.222 -0.444 . . . . 1.74 111.234 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 tttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 116.411 -0.359 . . . . 1.71 110.096 179.515 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 112.002 0.371 . . . . 1.75 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.76 149.48 22.28 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 122.801 0.441 . . . . 0.78 111.138 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.47 122.37 33.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.639 -0.255 . . . . 0.69 111.025 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -116.76 132.98 23.11 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 119.318 -0.373 . . . . 1.1 110.436 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.68 141.51 95.26 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.02 2.48 . . . . 0.83 113.496 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 mt -133.7 -97.81 0.27 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 119.243 -0.408 . . . . 1.24 111.277 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 m -95.79 162.68 13.49 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.445 0.566 . . . . 1.06 109.652 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.98 -42.19 62.75 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.925 0.713 . . . . 1.51 112.925 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.08 -40.27 46.71 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.694 0.225 . . . . 0.65 111.267 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.45 -26.26 62.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.311 0.244 . . . . 0.95 111.145 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.67 -24.6 49.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.233 0.613 . . . . 0.85 111.827 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -56.5 -57.16 13.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.555 0.342 . . . . 0.56 110.844 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.7 pp -71.94 -21.34 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.03 0.207 . . . . 0.53 111.447 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.474 ' N ' HD12 ' B' ' 13' ' ' ILE . 3.4 tm-20 -68.36 -41.63 80.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.225 0.61 . . . . 1.0 110.553 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -66.49 -33.3 75.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.28 0.363 . . . . 0.88 110.993 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.08 -32.94 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 122.85 0.46 . . . . 0.56 110.554 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.73 -60.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 122.84 0.456 . . . . 0.97 110.728 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -55.5 -34.41 64.59 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.859 1.059 . . . . 0.67 113.859 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -66.71 -46.41 75.62 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.018 0.377 . . . . 0.69 112.018 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.31 30.48 6.89 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.167 0.803 . . . . 1.02 113.167 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -82.28 -35.05 28.42 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.936 -0.477 . . . . 3.08 110.289 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -67.17 -34.24 77.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.419 0.688 . . . . 1.37 111.449 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -83.74 -33.32 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.602 0.361 . . . . 1.54 111.106 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.3 65.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.47 0.544 . . . . 0.85 112.47 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -78.35 -13.42 59.85 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.114 0.783 . . . . 1.73 113.114 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.89 -35.92 82.7 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 117.846 0.294 . . . . 1.68 111.789 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -106.5 -177.75 3.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.846 0.459 . . . . 1.45 110.881 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.44 125.75 0.94 Allowed Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.738 1.055 . . . . 0.86 115.738 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 64.87 140.41 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.25 1.02 . . . . 2.62 112.511 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -73.2 -42.83 62.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 116.078 -0.51 . . . . 1.11 111.531 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.18 50.85 1.42 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.045 0.45 . . . . 1.36 110.471 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.4 t -159.12 131.04 6.47 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 116.319 -0.401 . . . . 1.13 111.488 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.36 168.46 15.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.0 0.52 . . . . 0.79 110.875 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -102.04 166.24 10.73 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.558 0.343 . . . . 0.69 111.042 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.3 -24.21 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 112.445 0.535 . . . . 0.71 112.445 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -98.51 -32.8 11.28 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.686 0.395 . . . . 0.83 111.926 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.4 -31.55 60.47 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.992 0.738 . . . . 1.61 112.992 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -70.26 -35.51 73.83 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.251 0.478 . . . . 0.66 110.405 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -64.29 -37.16 86.52 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.234 0.614 . . . . 0.81 111.242 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.11 -31.91 72.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.775 0.43 . . . . 0.69 111.008 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -71.32 -32.65 68.84 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.81 0.444 . . . . 0.68 111.85 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.46 HG13 HD12 ' B' ' 50' ' ' LEU . 51.5 t -77.73 -28.16 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 119.465 -0.303 . . . . 0.48 111.474 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -99.03 2.81 46.57 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 113.023 0.749 . . . . 0.83 113.023 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -129.42 -59.04 1.1 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 112.685 0.624 . . . . 0.98 112.685 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.36 -8.65 21.87 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.847 1.054 . . . . 0.73 113.847 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.412 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 0.8 OUTLIER -139.14 43.54 0.67 Allowed Pre-proline 0 CA--C 1.566 1.589 0 CA-C-N 118.374 0.534 . . . . 0.62 112.204 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 74.5 Cg_endo -84.46 -32.35 0.38 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.368 2.045 . . . . 0.48 114.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -68.04 -33.28 74.29 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 111.991 0.367 . . . . 0.81 111.991 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.429 HD13 HG12 ' B' ' 87' ' ' ILE . 28.1 tp -69.83 -62.31 1.43 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.284 0.234 . . . . 0.88 111.385 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.46 HD12 HG13 ' B' ' 42' ' ' VAL . 67.3 mt -85.6 110.08 19.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 110.113 -0.329 . . . . 0.7 110.113 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.28 -36.52 53.1 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.227 0.825 . . . . 1.23 113.227 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.77 101.65 13.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.479 0.312 . . . . 1.94 110.771 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.96 -27.58 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 112.272 0.471 . . . . 0.6 112.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.75 -57.37 1.95 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-O 120.024 -0.32 . . . . 0.67 113.081 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -83.97 91.22 7.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.568 0.347 . . . . 0.92 111.188 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.02 8.14 36.59 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.281 -0.418 . . . . 1.24 111.435 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.08 -27.55 68.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.404 . . . . 0.73 111.691 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.3 -33.53 75.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.676 0.39 . . . . 1.1 110.764 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -98.29 -38.89 9.09 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 122.968 0.507 . . . . 1.47 111.762 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -57.78 -42.22 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 112.969 0.729 . . . . 0.81 112.969 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -62.44 -36.67 83.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.122 0.169 . . . . 2.39 111.4 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -81.58 -32.89 31.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.307 0.379 . . . . 0.63 111.006 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 79' ' ' LEU . 22.8 mt -61.91 -55.75 26.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.116 0.566 . . . . 0.69 111.485 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.85 71.83 9.45 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.262 -0.644 . . . . 1.32 109.262 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.98 -16.52 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 CA-C-N 115.603 -0.726 . . . . 0.72 112.706 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -92.85 -7.78 45.33 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 112.571 0.582 . . . . 1.38 112.571 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.65 38.1 27.59 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.318 0.647 . . . . 2.02 111.558 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.92 -2.88 13.47 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.5 t 64.85 23.29 12.63 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.356 0.662 . . . . 1.35 112.004 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -126.18 116.02 20.67 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.118 0.567 . . . . 2.4 109.508 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.76 70.03 3.44 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.998 0.428 . . . . 1.13 111.921 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -65.29 161.22 19.96 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 107.942 -1.132 . . . . 1.81 107.942 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 0.6 OUTLIER -55.05 -24.05 22.98 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 119.528 1.058 . . . . 1.23 113.105 -179.571 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -74.66 -41.99 59.31 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 109.818 -0.438 . . . . 0.99 109.818 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.06 -33.37 50.9 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.294 0.638 . . . . 0.93 110.265 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -75.68 -11.09 59.93 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.047 0.939 . . . . 0.71 111.626 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -47.15 -37.24 9.63 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.986 1.314 . . . . 1.54 113.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -58.88 -42.36 89.32 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.307 0.854 . . . . 2.15 113.307 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.436 ' HB2' HD21 ' B' ' 63' ' ' LEU . 15.6 tp -78.39 -23.92 46.56 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 111.961 0.356 . . . . 0.49 111.961 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.29 -38.88 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.546 0.338 . . . . 0.56 111.104 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.83 91.92 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 112.028 -0.429 . . . . 0.42 112.028 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.73 -26.08 62.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.065 0.546 . . . . 0.91 110.988 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -52.89 63.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.041 0.536 . . . . 0.69 111.024 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -83.15 -16.31 47.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.382 0.882 . . . . 0.55 113.382 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -80.44 -40.07 26.99 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.998 0.363 . . . . 1.1 111.35 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.27 -18.02 55.87 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.491 0.923 . . . . 1.68 113.491 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ILE . . . . . 0.468 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 118.416 0.553 . . . . 0.63 111.912 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 17.6 ptt-85 -93.11 -35.51 13.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.606 0.224 . . . . 1.64 111.606 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -149.81 92.17 1.88 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 111.971 0.36 . . . . 1.65 111.971 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -34.59 25.75 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.894 -0.41 . . . . 2.03 109.894 177.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -126.7 84.61 2.28 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.57 -0.9 . . . . 1.36 108.57 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.67 64.73 4.63 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.466 0.65 . . . . 1.72 112.005 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -174.29 -49.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.188 -0.914 . . . . 1.27 109.975 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.5 -50.25 11.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.301 0.64 . . . . 1.61 110.764 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.3 pt -116.97 138.74 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.179 0.591 . . . . 1.04 110.367 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -137.24 26.15 2.92 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.641 0.608 . . . . 2.42 112.641 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.25 97.16 0.6 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.427 0.291 . . . . 1.86 111.322 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.939 -1.029 . . . . 1.85 110.69 179.578 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 112.23 0.456 . . . . 2.71 112.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.53 124.42 19.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.853 0.461 . . . . 1.02 110.408 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.73 116.67 23.37 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.458 -0.337 . . . . 0.7 111.716 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -111.79 141.83 25.5 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.87 0.468 . . . . 1.02 110.825 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.89 136.84 33.66 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 122.802 2.335 . . . . 0.74 113.043 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.0 mt -130.11 -76.2 0.54 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.583 0.353 . . . . 1.19 111.591 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -113.55 166.29 11.66 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.287 0.635 . . . . 0.98 109.839 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.09 -42.01 72.33 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.742 0.645 . . . . 1.42 112.742 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.4 -36.13 60.91 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 111.653 0.242 . . . . 0.65 111.653 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -76.92 -27.35 54.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.671 0.389 . . . . 1.03 110.963 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.15 -34.03 68.2 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.027 0.531 . . . . 0.81 111.026 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -59.7 -52.62 64.73 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.907 0.321 . . . . 0.63 110.942 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.85 -24.06 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 111.647 0.239 . . . . 0.56 111.647 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.55 -35.08 46.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.012 0.525 . . . . 1.0 110.794 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -63.47 -38.84 92.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.688 0.395 . . . . 0.77 111.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.13 -32.3 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.33 0.252 . . . . 0.5 110.969 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -78.81 -52.9 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.447 0.299 . . . . 0.95 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.8 p -65.07 -25.44 67.81 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.657 1.354 . . . . 0.62 114.657 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -80.4 -42.56 22.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.441 0.904 . . . . 0.66 113.441 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CD1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -100.58 -23.02 14.77 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.237 1.199 . . . . 0.95 114.237 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.57 -13.25 61.9 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.185 0.902 . . . . 3.17 113.068 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 m -67.3 -30.0 69.74 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 110.068 -0.345 . . . . 1.37 110.068 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.78 -27.68 13.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.321 0.648 . . . . 1.55 111.158 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.26 66.96 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.144 0.424 . . . . 0.83 112.144 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -65.61 -19.93 66.11 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.147 0.425 . . . . 1.55 112.147 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.01 -44.08 66.99 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.215 0.606 . . . . 1.8 111.87 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.66 -178.66 5.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.44 0.296 . . . . 1.59 110.31 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.33 147.93 12.46 Favored Glycine 0 C--N 1.357 1.71 0 N-CA-C 114.36 0.504 . . . . 0.92 114.36 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 64.94 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.06 0.944 . . . . 2.6 111.809 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -84.92 -40.05 17.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.392 -0.367 . . . . 1.22 111.206 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.51 -15.62 56.27 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 112.638 0.607 . . . . 1.43 112.638 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -90.35 144.4 25.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.482 0.549 . . . . 1.09 112.482 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.22 144.97 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.548 -0.751 . . . . 0.76 109.36 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.9 t -70.01 152.89 43.89 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.071 0.397 . . . . 0.68 112.071 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.33 -24.5 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 N-CA-C 112.597 0.592 . . . . 0.64 112.597 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -96.29 -26.52 15.36 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.152 0.427 . . . . 0.82 112.152 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.83 -33.16 27.22 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.089 0.774 . . . . 1.54 113.089 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -66.18 -33.49 75.89 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.165 0.439 . . . . 0.65 110.843 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -67.31 -35.8 80.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.871 0.468 . . . . 0.87 110.416 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.95 -34.04 64.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.74 0.416 . . . . 0.73 110.624 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 20' ' ' PHE . 16.3 tp -67.85 -40.65 83.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.902 0.481 . . . . 0.65 111.149 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.95 -19.34 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.648 0.379 . . . . 0.45 111.563 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -107.96 13.27 26.31 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 112.055 0.391 . . . . 0.8 112.055 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -138.22 -56.68 0.65 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.064 0.393 . . . . 1.1 111.858 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -98.69 -17.69 18.43 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.809 0.67 . . . . 0.84 112.809 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.45 47.99 3.19 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-N 118.015 0.37 . . . . 0.67 111.327 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -84.41 -34.84 0.22 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 122.567 2.178 . . . . 0.52 115.229 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -70.12 -35.32 74.02 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.882 0.697 . . . . 0.85 112.882 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.05 -69.36 0.3 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.571 0.348 . . . . 0.87 111.534 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.99 100.52 11.11 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.734 -0.469 . . . . 0.73 109.734 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -38.38 56.56 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.701 1.0 . . . . 1.32 113.701 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.23 73.59 10.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.811 0.339 . . . . 2.08 110.55 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.15 -33.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 116.441 -0.345 . . . . 0.71 111.155 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.95 -40.89 6.48 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 119.83 -0.428 . . . . 0.83 112.614 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -88.59 71.05 8.9 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 121.306 0.574 . . . . 0.85 109.769 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 2.49 30.89 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.401 -0.818 . . . . 1.22 110.98 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.48 -30.38 71.51 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.383 0.512 . . . . 0.77 112.383 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.12 -45.06 95.14 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.546 0.338 . . . . 1.09 110.868 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -84.59 -33.35 23.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.357 0.263 . . . . 1.55 111.217 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.3 ttp -54.75 -36.99 65.39 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.769 0.427 . . . . 0.84 111.987 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.46 -40.56 35.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.094 0.246 . . . . 2.56 110.998 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -66.53 -31.86 72.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.791 0.436 . . . . 0.61 111.794 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 79' ' ' LEU . 19.1 mt -65.6 -59.98 3.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.091 0.556 . . . . 0.68 111.351 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.09 80.44 9.18 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.209 0.528 . . . . 1.39 109.9 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.94 -28.68 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 115.658 -0.701 . . . . 0.73 111.933 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -86.82 -27.07 23.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.605 0.362 . . . . 1.44 111.522 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 58.77 84.06 0.11 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 123.694 0.798 . . . . 1.96 111.649 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -117.09 -70.63 0.78 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.02 -0.536 . . . . 1.41 109.779 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 m -164.43 -55.6 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.204 0.602 . . . . 1.31 110.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.37 175.31 5.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.205 0.602 . . . . 2.42 110.772 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.0 99.67 10.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.961 0.504 . . . . 0.95 111.523 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.44 162.7 19.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.487 -0.931 . . . . 1.89 108.487 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.62 -29.14 69.05 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.515 1.052 . . . . 1.2 112.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.94 -28.26 64.36 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 110.115 -0.328 . . . . 0.98 110.115 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.25 -43.31 11.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.357 0.663 . . . . 1.03 110.549 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.64 ' HA ' HD22 ' A' ' 63' ' ' LEU . 41.6 t80 -68.36 -17.53 64.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.707 0.803 . . . . 0.69 112.187 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -53.74 -25.05 16.95 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.259 1.023 . . . . 1.62 113.319 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' HD23 ' A' ' 63' ' ' LEU . 6.8 mmm-85 -66.6 -25.07 66.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.22 0.464 . . . . 1.96 111.698 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.653 ' HB2' HD21 ' A' ' 63' ' ' LEU . 14.0 tp -93.55 -25.89 17.37 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 122.826 0.451 . . . . 0.53 110.295 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.48 -37.71 80.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 122.79 0.436 . . . . 0.61 109.954 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.5 -41.64 57.44 Favored Glycine 0 C--N 1.357 1.717 0 N-CA-C 111.563 -0.615 . . . . 0.47 111.563 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.94 -22.73 65.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.62 0.368 . . . . 0.86 110.676 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -49.21 77.33 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.005 0.522 . . . . 0.67 110.664 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.76 42.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.645 0.609 . . . . 0.55 112.645 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -87.42 -37.38 17.08 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 117.977 0.353 . . . . 0.96 111.226 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -87.18 -7.75 57.62 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.196 0.443 . . . . 1.65 112.196 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.415 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -66.61 -38.72 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 118.094 0.406 . . . . 0.66 111.297 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.33 -30.13 9.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.791 0.663 . . . . 1.74 112.791 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -134.04 65.72 1.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.716 0.636 . . . . 1.52 112.716 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.36 59.2 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.818 -0.438 . . . . 1.87 109.818 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -137.34 70.51 1.4 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.599 0.76 . . . . 1.53 108.957 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.2 72.1 3.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.508 0.67 . . . . 1.81 111.181 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tp -171.04 -48.4 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.218 -0.901 . . . . 1.24 110.416 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -89.93 -54.17 4.16 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.855 0.462 . . . . 1.73 110.604 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.2 pt -113.92 125.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.034 0.534 . . . . 1.06 109.803 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -142.74 40.38 1.54 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.401 0.519 . . . . 2.26 112.401 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -152.74 69.27 0.85 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.959 0.409 . . . . 1.74 111.967 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 tttp . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 122.829 0.452 . . . . 1.71 109.973 179.2 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.165 0.431 . . . . 1.75 112.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.03 161.48 13.7 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.433 0.293 . . . . 0.78 111.501 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.511 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -93.86 125.01 38.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.135 -0.484 . . . . 0.69 111.612 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -120.45 141.5 32.14 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.589 . . . . 1.1 110.038 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.2 141.32 49.22 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 123.038 2.492 . . . . 0.83 114.29 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -136.26 -128.46 0.15 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 119.011 -0.518 . . . . 1.24 110.324 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -80.12 161.97 25.01 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.163 0.892 . . . . 1.06 110.871 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -41.43 -48.69 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.124 1.157 . . . . 1.51 114.124 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.6 -41.21 63.15 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 111.778 0.288 . . . . 0.65 111.778 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.82 -37.34 79.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.954 0.502 . . . . 0.95 111.427 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.38 -32.79 74.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.412 0.685 . . . . 0.85 112.406 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -63.04 -55.23 27.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.946 0.339 . . . . 0.56 110.669 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.59 -18.07 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 111.88 0.326 . . . . 0.53 111.88 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.511 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 7.4 tm-20 -78.53 -40.47 34.99 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.364 0.666 . . . . 1.0 110.74 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -63.59 -34.7 78.39 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.014 0.376 . . . . 0.88 112.014 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.08 -32.12 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.284 0.234 . . . . 0.56 110.979 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.46 -53.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 122.896 0.478 . . . . 0.97 110.759 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -63.29 -28.08 69.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.501 1.297 . . . . 0.67 114.501 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -71.42 -49.37 42.49 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.911 0.708 . . . . 0.69 112.911 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -90.09 -19.64 24.1 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.422 0.897 . . . . 1.02 113.422 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.5 -21.17 66.6 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 118.93 0.786 . . . . 3.08 112.656 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -62.96 -31.12 72.16 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.713 0.405 . . . . 1.37 111.252 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.64 -27.39 13.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.914 0.486 . . . . 1.54 111.804 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.24 61.19 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.517 0.562 . . . . 0.85 112.517 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -59.59 -32.09 70.07 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.922 0.712 . . . . 1.73 112.922 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -58.88 -33.69 70.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.937 0.718 . . . . 1.68 112.937 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -89.98 176.58 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.343 0.257 . . . . 1.45 110.776 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.74 142.58 45.75 Favored Glycine 0 C--N 1.356 1.654 0 N-CA-C 113.958 0.343 . . . . 0.86 113.958 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.45 114.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.001 0.92 . . . . 2.62 112.01 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -62.48 -40.26 96.11 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.421 0.288 . . . . 1.11 111.562 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.15 -27.61 63.67 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 111.804 0.298 . . . . 1.36 111.804 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -83.19 147.22 28.16 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 112.228 0.455 . . . . 1.13 112.228 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.33 151.08 23.87 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.41 -0.814 . . . . 0.79 109.967 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.5 t -74.16 158.78 33.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.526 0.331 . . . . 0.69 111.535 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.46 -19.39 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 112.256 0.465 . . . . 0.71 112.256 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.45 -42.59 6.54 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.611 0.365 . . . . 0.83 111.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.32 -36.99 82.59 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.577 0.584 . . . . 1.61 112.577 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.6 -37.12 84.22 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 117.953 0.342 . . . . 0.66 110.249 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.297 0.639 . . . . 0.81 110.274 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 -28.92 63.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.821 0.448 . . . . 0.69 111.197 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.6 -36.58 84.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.824 0.45 . . . . 0.68 110.667 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.471 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 67.9 t -74.72 -30.09 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 122.621 0.368 . . . . 0.48 111.171 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.35 27.77 4.51 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.447 0.299 . . . . 0.83 111.769 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -154.65 -52.79 0.09 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 112.282 0.475 . . . . 0.98 112.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -112.83 -6.42 13.82 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.584 0.957 . . . . 0.73 113.584 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.9 OUTLIER -137.71 39.11 0.39 Allowed Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 118.449 0.568 . . . . 0.62 112.244 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.38 -33.81 2.32 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.232 1.954 . . . . 0.48 114.309 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -72.11 -30.1 64.73 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.319 0.489 . . . . 0.81 112.319 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.26 -53.49 16.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 117.524 0.147 . . . . 0.88 110.947 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.0 102.72 14.54 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.135 -0.691 . . . . 0.7 109.135 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -34.11 67.8 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.945 0.721 . . . . 1.23 112.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -93.1 83.17 4.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.745 0.418 . . . . 1.94 110.104 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -86.29 -30.99 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 116.179 -0.464 . . . . 0.6 111.97 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.42 -55.84 8.32 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.825 -0.431 . . . . 0.67 113.46 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 43.6 t -88.55 69.11 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.19 0.519 . . . . 0.92 111.035 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 56' ' ' LEU . 1.3 tm? -76.53 -21.19 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.998 -0.546 . . . . 1.24 111.146 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.62 -25.7 53.87 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.655 0.983 . . . . 0.73 113.655 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.26 -38.14 79.36 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 117.754 0.252 . . . . 1.1 111.072 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -94.91 -37.16 11.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.745 0.418 . . . . 1.47 110.572 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 40.9 ttp -49.79 -43.25 48.23 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.527 0.731 . . . . 0.81 112.76 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -67.01 -35.02 79.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.181 0.192 . . . . 2.39 111.199 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -73.47 -25.95 60.7 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.616 0.367 . . . . 0.63 111.615 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' B' ' 79' ' ' LEU . 60.1 mt -74.65 -66.03 0.79 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 122.55 0.34 . . . . 0.69 110.833 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.5 76.43 4.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 109.779 -0.452 . . . . 1.32 109.779 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -81.69 -29.79 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 115.89 -0.595 . . . . 0.72 111.719 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -74.47 -26.96 60.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.805 0.298 . . . . 1.38 111.805 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 67.24 72.22 0.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.804 0.842 . . . . 2.02 111.097 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -140.05 15.09 2.45 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.438 -0.801 . . . . 1.3 111.745 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 57.53 26.1 12.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.331 0.652 . . . . 1.35 112.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -143.09 121.28 12.2 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.361 -0.607 . . . . 2.4 109.361 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -95.33 86.9 4.65 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.281 0.363 . . . . 1.13 110.901 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -66.14 171.41 4.68 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.842 -0.799 . . . . 1.81 108.842 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.61 -23.51 66.84 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.402 1.001 . . . . 1.23 111.677 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -73.69 -32.02 63.72 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.346 -0.613 . . . . 0.99 109.346 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.73 -47.27 13.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 123.254 0.621 . . . . 0.93 109.663 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.477 ' HA ' HD22 ' B' ' 63' ' ' LEU . 33.7 t80 -67.71 -16.84 64.34 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.639 0.775 . . . . 0.71 111.833 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -50.89 -34.58 28.89 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.35 1.06 . . . . 1.54 112.694 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.622 ' HB2' HD23 ' B' ' 63' ' ' LEU . 28.6 mmm-85 -64.45 -32.32 73.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.382 -0.342 . . . . 2.15 111.846 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.659 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.5 tp -81.43 -30.82 33.39 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 119.389 -0.339 . . . . 0.49 110.584 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.07 -38.96 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 109.317 -0.623 . . . . 0.56 109.317 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.71 80.77 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 111.759 -0.537 . . . . 0.42 111.759 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -72.56 -22.89 60.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.622 0.369 . . . . 0.91 111.692 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -52.75 39.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.755 0.422 . . . . 0.69 110.365 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.52 -18.57 58.65 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.295 0.48 . . . . 0.55 112.295 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -84.8 -35.6 22.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.967 0.507 . . . . 1.1 111.452 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -92.85 38.84 1.03 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 111.926 0.343 . . . . 1.68 111.926 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -44.37 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.629 0.371 . . . . 0.63 110.601 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 -36.02 9.41 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.71 0.404 . . . . 1.64 111.842 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -120.5 43.07 2.83 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 111.799 0.296 . . . . 1.65 111.799 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -62.87 -44.18 96.8 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 122.474 -0.141 . . . . 2.03 111.34 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -124.21 72.57 1.18 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.217 -0.66 . . . . 1.36 109.217 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.27 70.44 5.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.478 0.656 . . . . 1.72 110.712 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -167.55 -49.72 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.36 -0.837 . . . . 1.27 110.694 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -99.48 -49.04 4.56 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.092 0.557 . . . . 1.61 111.178 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -120.32 127.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.892 0.477 . . . . 1.04 111.285 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -134.76 35.2 3.13 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.084 0.402 . . . . 2.42 112.084 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -162.85 108.62 1.16 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.753 0.311 . . . . 1.86 111.565 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.293 -0.861 . . . . 1.85 110.079 179.408 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 N-CA-C 112.769 0.655 . . . . 2.71 112.769 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.28 150.06 50.22 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.923 0.489 . . . . 1.02 110.432 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.46 129.45 38.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.367 0.267 . . . . 0.7 111.529 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.49 135.97 14.29 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 122.957 0.503 . . . . 1.02 110.464 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.13 143.15 25.32 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.391 2.061 . . . . 0.74 113.688 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.61 -62.0 0.71 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.908 0.483 . . . . 1.19 110.924 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -111.64 164.87 12.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.677 0.791 . . . . 0.98 110.224 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.89 -43.5 94.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.416 0.525 . . . . 1.42 112.416 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.417 HD11 HD11 ' B' ' 41' ' ' LEU . 79.5 mt -72.86 -29.98 63.62 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.623 0.231 . . . . 0.65 111.623 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.78 -40.99 65.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.603 -0.518 . . . . 1.03 109.603 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.33 -27.88 69.62 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.998 0.519 . . . . 0.81 111.741 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -61.79 -42.77 99.43 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.29 0.236 . . . . 0.63 111.367 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -93.61 -17.02 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.179 0.437 . . . . 0.56 112.179 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -81.23 -39.89 24.66 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.119 0.568 . . . . 1.0 111.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.7 m -61.55 -31.86 71.91 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.562 0.345 . . . . 0.77 111.462 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.49 -31.03 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 C-N-CA 122.506 0.322 . . . . 0.5 110.49 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.11 -65.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 123.145 0.578 . . . . 0.95 110.984 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -55.11 -34.01 63.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.62 114.805 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -72.97 -46.84 50.08 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.113 0.783 . . . . 0.66 113.113 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.91 -22.29 17.52 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.031 1.123 . . . . 0.95 114.031 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 2.5 m-85 -58.8 -21.54 56.4 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.279 0.945 . . . . 3.17 112.629 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.4 m -64.49 -35.73 81.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 110.154 -0.313 . . . . 1.37 110.154 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -91.22 -32.64 15.7 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.989 0.516 . . . . 1.55 110.76 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 21' ' ' PHE . . . -72.31 -18.18 61.8 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.435 0.902 . . . . 0.83 113.435 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -86.15 10.3 14.89 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.158 0.799 . . . . 1.55 113.158 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -80.43 -36.8 33.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.707 0.403 . . . . 1.8 112.004 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.78 -175.02 3.16 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.759 0.424 . . . . 1.59 111.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.76 140.55 25.67 Favored Glycine 0 C--N 1.363 2.035 0 N-CA-C 114.37 0.508 . . . . 0.92 114.37 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? 64.76 120.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.259 1.024 . . . . 2.6 110.597 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -71.36 -27.79 63.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 111.911 0.337 . . . . 1.22 111.911 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -98.03 54.73 1.13 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.583 0.353 . . . . 1.43 110.701 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -157.17 152.76 26.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.202 0.445 . . . . 1.09 112.202 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.42 124.04 48.88 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.369 -0.604 . . . . 0.76 109.369 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.2 t -59.79 153.72 19.96 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.204 0.446 . . . . 0.68 112.204 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.91 -28.36 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 112.628 0.603 . . . . 0.64 112.628 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.79 -22.53 18.01 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.469 0.544 . . . . 0.82 112.469 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.97 -30.41 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.601 0.593 . . . . 1.54 112.601 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 -36.87 68.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.781 0.264 . . . . 0.65 111.121 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.53 -40.16 95.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.231 0.612 . . . . 0.87 111.389 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.33 -29.06 63.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.875 0.47 . . . . 0.73 111.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.91 -36.99 83.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.483 0.313 . . . . 0.65 110.708 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.94 -25.41 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 C-N-CA 122.77 0.428 . . . . 0.45 111.08 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -103.55 27.36 7.47 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 112.434 0.531 . . . . 0.8 112.434 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -153.12 -63.37 0.15 Allowed 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.704 -0.623 . . . . 1.1 112.118 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -99.03 -6.96 27.55 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.44 0.533 . . . . 0.84 112.44 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.416 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -140.6 47.47 1.14 Allowed Pre-proline 0 CA--C 1.564 1.487 0 CA-C-N 118.149 0.431 . . . . 0.67 111.801 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 77.2 Cg_endo -86.87 -34.6 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.381 0 C-N-CA 122.404 2.069 . . . . 0.52 115.469 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.44 -19.93 60.22 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.703 0.631 . . . . 0.85 112.703 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -74.13 -56.5 4.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.648 0.379 . . . . 0.87 110.787 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.48 117.93 31.28 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.649 -0.5 . . . . 0.73 109.649 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -63.01 -29.56 70.92 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.378 0.51 . . . . 1.32 112.378 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -97.54 92.97 6.18 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 110.047 -0.353 . . . . 2.08 110.047 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.6 m -97.78 -36.94 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.06 0.392 . . . . 0.71 112.06 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.66 -51.75 6.98 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 119.886 -0.397 . . . . 0.83 112.98 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -87.96 75.84 8.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.038 0.446 . . . . 0.85 110.194 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 0.64 57.24 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.883 -0.599 . . . . 1.22 112.167 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.01 -27.59 67.55 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.096 0.776 . . . . 0.77 113.096 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.79 -43.11 89.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 111.562 0.208 . . . . 1.09 111.562 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.64 -33.02 20.25 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.574 -0.251 . . . . 1.55 110.973 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.7 ttp -58.53 -39.91 81.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.874 0.47 . . . . 0.84 112.181 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -67.59 -35.73 79.53 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 122.923 0.14 . . . . 2.56 111.077 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.4 m -67.79 -35.79 79.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.331 0.252 . . . . 0.61 110.922 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 79' ' ' LEU . 27.7 mt -69.94 -53.89 15.82 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.891 0.477 . . . . 0.68 111.189 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.51 77.83 7.28 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 121.215 0.531 . . . . 1.39 110.37 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 p -91.12 -35.89 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.44 -0.8 . . . . 0.73 111.605 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.46 -19.56 52.85 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 111.889 0.329 . . . . 1.44 111.889 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 66.41 56.97 0.74 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.682 0.793 . . . . 1.96 111.614 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.28 19.07 12.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.037 0.384 . . . . 1.41 112.037 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 t 70.34 -66.71 0.27 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.848 0.859 . . . . 1.31 111.844 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.77 133.75 44.66 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.922 0.328 . . . . 2.42 111.15 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -88.87 95.09 10.16 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.936 -0.575 . . . . 0.95 110.396 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -66.56 158.36 29.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 108.982 -0.747 . . . . 1.89 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -27.9 63.67 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.7 0.682 . . . . 1.2 112.602 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -69.65 -34.44 74.0 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.775 -0.454 . . . . 0.98 109.775 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.95 -36.11 25.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.08 0.552 . . . . 1.03 110.253 177.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HA ' HD22 ' A' ' 63' ' ' LEU . 22.7 t80 -69.77 -13.19 62.16 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.571 0.748 . . . . 0.69 111.979 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -24.13 22.7 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.641 0.776 . . . . 1.62 112.879 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.9 mmm-85 -70.82 -26.76 63.44 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 118.448 0.567 . . . . 1.96 111.733 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.743 ' HB2' HD21 ' A' ' 63' ' ' LEU . 12.5 tp -93.99 -32.53 13.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.99 0.516 . . . . 0.53 110.389 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.8 mm -57.0 -38.5 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 109.557 -0.535 . . . . 0.61 109.557 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.46 81.87 Favored Glycine 0 C--N 1.355 1.611 0 N-CA-C 111.463 -0.655 . . . . 0.47 111.463 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.39 -34.04 77.38 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 0.86 111.34 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.93 -43.32 93.15 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 110.08 -0.341 . . . . 0.67 110.08 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -31.08 59.91 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.072 -0.513 . . . . 0.55 112.367 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -36.58 24.03 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.089 0.774 . . . . 0.96 113.089 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.34 33.99 0.75 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.096 0.776 . . . . 1.65 113.096 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.54 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -102.58 -36.34 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 122.595 0.358 . . . . 0.66 111.142 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.504 ' HD2' HG11 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -114.47 -37.83 4.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.026 0.751 . . . . 1.74 113.026 -178.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -119.37 47.31 1.72 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.598 0.592 . . . . 1.52 112.598 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -36.25 78.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.487 -0.324 . . . . 1.87 110.834 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.48 51.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.341 0.656 . . . . 1.53 109.645 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.59 -33.56 9.99 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.384 1.253 . . . . 1.81 114.384 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.0 tp -78.24 -40.46 37.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.609 0.225 . . . . 1.24 111.609 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -80.99 -66.17 0.92 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.625 0.37 . . . . 1.73 111.183 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 pt -121.73 130.84 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.652 0.381 . . . . 1.06 110.622 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -130.76 42.34 3.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.631 0.604 . . . . 2.26 112.631 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -156.21 100.56 2.01 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.486 0.314 . . . . 1.74 110.647 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.9 tttp . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 116.533 -0.303 . . . . 1.71 110.584 -179.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 112.685 0.624 . . . . 1.75 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 146.96 25.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.613 0.365 . . . . 0.78 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.59 35.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.48 -0.327 . . . . 0.69 110.946 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.62 138.3 31.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-O 119.259 -0.401 . . . . 1.1 111.385 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.31 114.3 2.62 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.666 2.244 . . . . 0.83 112.74 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.51 -153.22 0.52 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.996 0.518 . . . . 1.24 110.288 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -61.28 161.21 9.33 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.705 0.684 . . . . 1.06 111.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -37.84 -58.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.971 1.471 . . . . 1.51 114.971 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.22 -29.47 66.3 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.587 0.63 . . . . 0.65 112.26 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -79.24 -27.57 42.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.617 0.367 . . . . 0.95 110.954 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.98 -25.57 29.91 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.486 0.714 . . . . 0.85 111.426 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -61.49 -48.07 82.74 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.48 0.312 . . . . 0.56 110.999 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.406 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -76.47 -21.33 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 122.47 0.308 . . . . 0.53 111.338 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.406 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.6 tm-20 -72.45 -34.1 67.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.15 0.58 . . . . 1.0 111.429 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -56.32 -30.93 63.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.758 0.423 . . . . 0.88 111.89 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.86 -28.5 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.918 0.487 . . . . 0.56 110.847 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.504 HG11 ' HD2' ' A' ' 88' ' ' ARG . 4.3 t -99.92 35.43 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.414 0 C-N-CA 123.084 0.554 . . . . 0.97 110.781 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -147.14 -47.88 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 122.112 -0.368 . . . . 0.67 111.787 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -69.26 -47.56 64.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.559 0.344 . . . . 0.69 111.744 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -100.58 -10.93 20.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.461 0.911 . . . . 1.02 113.461 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -60.34 -30.88 69.82 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 119.002 0.819 . . . . 3.08 112.085 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -64.6 -37.74 88.6 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.762 0.425 . . . . 1.37 111.333 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -84.6 -31.0 24.53 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.747 0.419 . . . . 1.54 111.155 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -31.97 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.562 0.579 . . . . 0.85 112.562 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -77.88 -11.62 59.91 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.019 0.748 . . . . 1.73 113.019 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.27 -33.32 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.01 0.368 . . . . 1.68 111.734 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -97.2 -170.55 2.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.953 0.501 . . . . 1.45 110.068 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.73 144.52 41.03 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 114.1 0.4 . . . . 0.86 114.1 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 65.69 141.34 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.24 1.016 . . . . 2.62 112.064 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -75.36 -53.32 8.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.054 -0.521 . . . . 1.11 111.487 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -92.87 57.69 2.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.656 0.382 . . . . 1.36 110.444 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -150.78 120.43 6.99 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 116.404 -0.362 . . . . 1.13 111.647 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.1 mp -89.03 129.59 35.64 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.347 -0.612 . . . . 0.79 109.347 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -66.79 153.18 44.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 111.877 0.325 . . . . 0.69 111.877 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.32 -28.7 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 112.486 0.551 . . . . 0.71 112.486 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -92.35 -34.59 14.13 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 111.719 0.266 . . . . 0.83 111.719 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.62 -33.15 73.54 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.636 0.606 . . . . 1.61 112.636 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -31.67 61.77 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.878 0.308 . . . . 0.66 111.013 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -64.48 -39.49 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.371 0.269 . . . . 0.81 110.741 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.83 -30.89 67.44 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.977 0.511 . . . . 0.69 110.601 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.417 HD11 HD11 ' A' ' 9' ' ' LEU . 32.8 tp -67.1 -35.67 80.28 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.089 0.556 . . . . 0.68 111.399 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.59 -34.02 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.543 0.337 . . . . 0.48 111.292 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -98.83 39.55 1.26 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.036 0.384 . . . . 0.83 112.036 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -163.66 -55.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.074 0.398 . . . . 0.98 112.074 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.75 -15.42 14.96 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.845 0.683 . . . . 0.73 112.845 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -135.44 44.02 1.03 Allowed Pre-proline 0 CA--C 1.56 1.359 0 N-CA-C 112.177 0.436 . . . . 0.62 112.177 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.34 -32.1 1.03 Allowed 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.949 1.766 . . . . 0.48 114.858 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -74.46 -32.73 62.68 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.777 0.658 . . . . 0.81 112.777 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.59 -55.11 9.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.299 0.239 . . . . 0.88 111.4 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.13 109.24 20.13 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.803 -0.443 . . . . 0.7 109.803 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -55.4 -35.48 65.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.922 0.712 . . . . 1.23 112.922 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -96.23 92.76 6.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.366 0.266 . . . . 1.94 110.427 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.9 m -87.51 -43.05 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.526 -0.306 . . . . 0.6 111.248 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.82 -17.67 50.81 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 119.621 -0.544 . . . . 0.67 113.464 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.4 t -104.91 43.97 1.06 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 117.367 0.584 . . . . 0.92 111.101 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.94 68.36 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.331 0.586 . . . . 1.24 109.537 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -119.92 -41.52 2.66 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.61 -0.723 . . . . 0.73 110.874 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.75 -37.28 83.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.308 0.243 . . . . 1.1 110.625 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -82.49 -34.21 28.08 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.514 0.326 . . . . 1.47 110.847 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . 0.476 ' HA ' HD12 ' B' ' 63' ' ' LEU . 49.0 ttp -63.03 -37.84 88.79 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 112.121 0.415 . . . . 0.81 112.121 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.34 -38.23 71.64 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.148 0.179 . . . . 2.39 110.652 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -72.32 -26.56 61.99 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.168 0.293 . . . . 0.63 110.566 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' B' ' 79' ' ' LEU . 12.8 mt -69.7 -63.57 1.05 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.622 0.769 . . . . 0.69 111.353 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.88 77.38 5.35 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 121.092 0.472 . . . . 1.32 110.346 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.03 -31.39 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 CA-C-N 116.015 -0.539 . . . . 0.72 111.449 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -70.62 -28.04 64.53 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.822 0.304 . . . . 1.38 111.822 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 62.29 77.65 0.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.595 0.758 . . . . 2.02 111.655 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -129.06 -70.62 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 1.3 110.603 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -177.43 -50.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.137 0.575 . . . . 1.35 111.277 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -113.52 148.17 36.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.816 0.446 . . . . 2.4 110.503 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.33 103.54 8.34 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.695 -0.23 . . . . 1.13 111.355 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -66.74 164.98 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.007 -0.738 . . . . 1.81 109.007 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -27.64 68.57 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.065 0.848 . . . . 1.23 111.684 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.03 -37.53 69.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 109.742 -0.466 . . . . 0.99 109.742 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.57 -33.39 41.78 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.76 0.424 . . . . 0.93 111.118 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -77.95 -9.78 59.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.736 0.414 . . . . 0.71 111.988 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -24.53 45.22 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.578 0.751 . . . . 1.54 111.935 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.479 ' HB2' HD23 ' B' ' 63' ' ' LEU . 63.6 mmt-85 -64.9 -42.1 95.04 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.918 0.487 . . . . 2.15 112.074 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.585 ' HB2' HD21 ' B' ' 63' ' ' LEU . 5.9 tp -75.25 -30.74 60.58 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 119.516 -0.278 . . . . 0.49 111.457 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.7 mm -58.83 -38.34 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 109.671 -0.492 . . . . 0.56 109.671 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.49 -34.41 44.91 Favored Glycine 0 C--N 1.36 1.867 0 O-C-N 123.384 0.428 . . . . 0.42 112.032 177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.43 -31.55 67.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.989 0.516 . . . . 0.91 110.451 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.09 -48.9 79.8 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 123.386 0.674 . . . . 0.69 110.717 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.39 54.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.046 0.387 . . . . 0.55 112.046 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.67 -35.31 65.21 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.468 0.307 . . . . 1.1 111.58 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -100.09 37.34 1.66 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.838 0.455 . . . . 1.68 112.131 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.494 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -101.82 -39.81 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 122.841 0.457 . . . . 0.63 110.084 178.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -36.21 4.65 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.177 0.436 . . . . 1.64 112.177 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -120.16 58.28 0.92 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 112.187 0.44 . . . . 1.65 112.187 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -34.23 38.8 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.326 -0.62 . . . . 2.03 109.326 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -138.05 63.14 1.55 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 108.661 -0.866 . . . . 1.36 108.661 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.17 -32.68 70.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.414 0.894 . . . . 1.72 113.414 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 tp -74.22 -36.9 63.98 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.137 0.421 . . . . 1.27 112.137 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -84.37 -41.96 16.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.757 0.423 . . . . 1.61 112.047 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.6 pt -135.63 157.2 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.798 0.439 . . . . 1.04 111.39 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.51 42.48 0.99 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 112.858 0.688 . . . . 2.42 112.858 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -177.04 115.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 111.734 0.272 . . . . 1.86 111.734 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 36.1 tttp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.08 -0.962 . . . . 1.85 110.701 179.118 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.925 0.713 . . . . 2.71 112.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.88 158.05 15.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.735 0.414 . . . . 1.02 110.325 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.03 122.4 44.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.821 0.304 . . . . 0.7 111.821 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.91 139.2 27.84 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.359 0.664 . . . . 1.02 110.408 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -85.49 140.24 7.21 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.562 2.175 . . . . 0.74 113.149 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 mt -133.57 -58.03 0.88 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.891 0.476 . . . . 1.19 111.201 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -107.23 157.99 17.47 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.328 0.651 . . . . 0.98 110.06 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.67 -44.97 81.92 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.866 0.466 . . . . 1.42 112.188 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.31 -31.52 67.53 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 119.719 -0.182 . . . . 0.65 111.48 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.37 -32.98 64.81 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.199 -0.297 . . . . 1.03 110.199 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.06 -26.7 64.13 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.6 0.36 . . . . 0.81 110.823 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -62.04 -42.55 99.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.5 0.32 . . . . 0.63 111.135 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.9 pp -89.3 -13.58 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.098 0.407 . . . . 0.56 112.098 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.85 -43.23 16.86 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.723 0.409 . . . . 1.0 110.781 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -59.67 -34.22 72.56 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.017 0.527 . . . . 0.77 112.181 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.03 -26.17 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 C-N-CA 122.643 0.377 . . . . 0.5 111.156 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -82.54 -72.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 122.678 0.391 . . . . 0.95 111.904 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.2 p -50.58 -36.42 34.65 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.654 1.353 . . . . 0.62 114.654 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.6 m -64.84 -42.68 94.71 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.952 0.723 . . . . 0.66 112.952 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -102.78 -30.13 11.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.158 0.799 . . . . 0.95 113.158 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 7.3 m-85 -63.51 -17.84 63.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.115 0.783 . . . . 3.17 113.115 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.5 m -62.71 -34.3 76.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.187 0.448 . . . . 1.37 110.372 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -97.95 -21.95 16.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.275 0.63 . . . . 1.55 111.545 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 21' ' ' PHE . . . -78.18 -16.6 57.74 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.733 1.012 . . . . 0.83 113.733 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.32 6.98 34.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 113.281 0.845 . . . . 1.55 113.281 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -76.92 -31.17 56.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.751 0.42 . . . . 1.8 112.051 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -127.88 137.53 52.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.706 0.402 . . . . 1.59 111.557 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.76 92.04 0.01 OUTLIER Glycine 0 C--N 1.349 1.299 0 N-CA-C 116.093 1.197 . . . . 0.92 116.093 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? 58.82 169.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.009 1.114 . . . . 2.6 114.009 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -93.09 -33.53 14.03 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.88 -0.6 . . . . 1.22 112.006 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.5 67.36 2.87 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.629 0.372 . . . . 1.43 111.923 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 p -169.28 154.44 5.85 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.934 0.716 . . . . 1.09 112.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.21 141.78 33.6 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.629 -0.878 . . . . 0.76 108.629 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -79.89 143.85 33.92 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.839 0.291 . . . . 0.68 111.513 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.96 -26.0 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 N-CA-C 112.581 0.586 . . . . 0.64 112.581 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -87.02 -32.62 19.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.496 0.318 . . . . 0.82 111.044 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.42 -22.92 28.13 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.822 0.675 . . . . 1.54 112.822 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -35.37 80.22 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.367 0.531 . . . . 0.65 110.244 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.01 -41.96 63.72 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.978 0.511 . . . . 0.87 110.809 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.97 -34.38 77.98 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.05 0.219 . . . . 0.73 110.867 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.58 -38.68 92.06 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.634 0.374 . . . . 0.65 110.775 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.0 t -73.07 -31.94 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 122.763 0.425 . . . . 0.45 111.345 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.67 31.9 4.17 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 112.058 0.392 . . . . 0.8 112.058 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.36 -60.95 0.17 Allowed 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.923 -0.486 . . . . 1.1 111.919 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.23 1.41 18.63 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.778 0.658 . . . . 0.84 112.778 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.43 HD11 HD22 ' A' ' 49' ' ' LEU . 7.9 tp -142.22 47.83 0.99 Allowed Pre-proline 0 CA--C 1.561 1.397 0 CA-C-N 118.445 0.566 . . . . 0.67 111.787 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -83.3 -39.17 0.13 Allowed 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.19 1.927 . . . . 0.52 114.822 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -73.77 -21.6 60.12 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.791 0.663 . . . . 0.85 112.791 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 HD11 ' B' ' 13' ' ' ILE . 12.7 tp -68.67 -52.76 27.58 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.995 0.368 . . . . 0.87 111.995 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.49 134.68 39.38 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 110.361 -0.237 . . . . 0.73 110.361 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -63.9 -31.47 72.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.719 0.266 . . . . 1.32 111.719 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -109.99 120.16 41.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.976 0.51 . . . . 2.08 109.924 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.07 -15.26 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.761 0.652 . . . . 0.71 112.761 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.15 -49.21 1.25 Allowed Glycine 0 C--N 1.353 1.502 0 CA-C-N 117.791 0.269 . . . . 0.83 113.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -86.86 77.93 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.974 0.416 . . . . 0.85 111.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.45 13.77 32.16 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.905 -0.589 . . . . 1.22 111.094 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.91 -34.62 78.55 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 112.25 0.463 . . . . 0.77 112.25 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -67.26 -28.38 67.99 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.567 0.347 . . . . 1.09 110.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.86 -45.36 8.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.399 0.68 . . . . 1.55 110.984 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.0 ttp -52.16 -43.73 64.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.221 0.608 . . . . 0.84 112.301 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.61 -37.28 73.82 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 122.924 0.14 . . . . 2.56 111.265 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.1 m -68.73 -31.28 70.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.353 0.261 . . . . 0.61 111.107 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 79' ' ' LEU . 41.3 mt -76.01 -55.79 5.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.025 0.53 . . . . 0.68 110.883 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.6 72.78 10.64 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 120.967 0.413 . . . . 1.39 109.931 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 p -92.09 -24.38 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-N 116.062 -0.517 . . . . 0.73 111.527 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -72.34 -28.12 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.786 0.434 . . . . 1.44 111.8 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.78 89.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.89 0.876 . . . . 1.96 111.188 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -141.16 -70.13 0.37 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.325 0.25 . . . . 1.41 110.974 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -174.17 -58.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.941 0.496 . . . . 1.31 110.507 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -113.73 157.85 21.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.734 0.414 . . . . 2.42 111.319 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.32 103.66 16.27 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.754 -0.657 . . . . 0.95 112.022 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.28 177.82 2.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.646 0.378 . . . . 1.89 109.997 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.46 -31.0 69.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.447 0.567 . . . . 1.2 110.314 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -70.72 -29.43 65.69 Favored 'General case' 0 CA--C 1.552 1.04 0 O-C-N 123.211 0.319 . . . . 0.98 110.634 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.21 -40.29 13.8 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.789 0.436 . . . . 1.03 110.225 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.667 ' HA ' HD22 ' A' ' 63' ' ' LEU . 68.0 t80 -73.19 -12.95 61.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.37 0.668 . . . . 0.69 111.261 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -53.15 -26.12 15.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.433 1.093 . . . . 1.62 113.075 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.684 ' HB2' HD23 ' A' ' 63' ' ' LEU . 26.8 mmm-85 -68.76 -26.96 65.49 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 118.223 0.465 . . . . 1.96 111.821 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 63' ' ' LEU . 9.7 tp -90.57 -31.1 16.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 110.085 -0.339 . . . . 0.53 110.085 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.9 mm -51.51 -38.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.881 -0.414 . . . . 0.61 109.881 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.38 -41.51 77.61 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 110.86 -0.896 . . . . 0.47 110.86 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.199 0.599 . . . . 0.86 112.037 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.39 -46.11 91.53 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.52 0.328 . . . . 0.67 111.061 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.26 -16.17 44.12 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.643 0.609 . . . . 0.55 112.643 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.14 -29.24 17.38 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.268 0.627 . . . . 0.96 111.35 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -86.8 -27.53 23.5 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.816 0.447 . . . . 1.65 112.088 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.471 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -58.82 -46.06 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 117.984 0.357 . . . . 0.66 111.753 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -37.38 24.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 119.582 -0.247 . . . . 1.74 111.538 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -152.71 109.87 3.52 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 112.633 0.605 . . . . 1.52 112.633 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -38.19 7.52 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.118 -0.697 . . . . 1.87 109.118 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.7 67.89 1.25 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.262 -1.385 . . . . 1.53 107.262 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -49.05 -34.51 13.63 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.335 1.235 . . . . 1.81 114.335 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.12 -32.91 33.57 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 112.014 0.376 . . . . 1.24 112.014 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -82.87 -60.74 2.07 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.365 0.266 . . . . 1.73 111.401 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -113.99 131.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.279 0.631 . . . . 1.06 109.92 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.75 37.66 1.19 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.323 0.86 . . . . 2.26 113.323 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 70.67 0.24 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.225 0.536 . . . . 1.74 111.196 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 tttp . . . . . 0 N--CA 1.47 0.541 0 CA-C-N 115.577 -0.738 . . . . 1.71 110.126 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.277 0.473 . . . . 1.75 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.3 165.25 13.19 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 111.865 0.321 . . . . 0.78 111.865 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.586 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -101.59 127.74 48.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.531 0.333 . . . . 0.69 111.434 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -129.94 136.85 29.69 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.148 0.579 . . . . 1.1 110.269 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.31 134.75 12.95 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.49 2.127 . . . . 0.83 112.818 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -123.18 -59.24 1.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.843 0.457 . . . . 1.24 111.474 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -120.72 168.18 11.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.453 0.701 . . . . 1.06 109.7 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.1 -47.1 75.43 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.864 0.69 . . . . 1.51 112.864 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.84 -36.23 70.11 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.154 0.427 . . . . 0.65 112.154 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.71 -43.27 72.74 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.816 -0.439 . . . . 0.95 109.816 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.98 -34.88 76.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.513 0.725 . . . . 0.85 111.753 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -59.78 -56.17 25.19 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.846 0.313 . . . . 0.56 111.846 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.464 HD11 HD11 ' A' ' 49' ' ' LEU . 2.7 pp -72.88 -25.65 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 117.701 0.228 . . . . 0.53 111.409 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.586 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 7.9 tm-20 -69.76 -31.34 69.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.406 0.682 . . . . 1.0 111.779 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.25 -26.74 67.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.524 0.33 . . . . 0.88 111.718 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -76.36 -26.55 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 122.88 0.472 . . . . 0.56 110.337 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.7 10.89 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 C-N-CA 123.235 0.614 . . . . 0.97 111.856 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -127.51 -43.48 1.59 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.665 0.617 . . . . 0.67 112.665 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -68.37 -48.49 64.61 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.522 0.564 . . . . 0.69 112.522 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -93.48 -8.83 40.44 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.164 0.801 . . . . 1.02 113.164 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -22.26 61.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.326 0.491 . . . . 3.08 112.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -69.86 -34.18 73.25 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.456 0.302 . . . . 1.37 110.99 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.75 -29.5 14.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.076 0.55 . . . . 1.54 112.172 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -19.32 58.26 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 113.41 0.893 . . . . 0.85 113.41 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -84.14 0.37 48.84 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.112 0.782 . . . . 1.73 113.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.33 -31.72 48.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.118 0.414 . . . . 1.68 112.118 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -132.78 141.98 48.77 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.989 0.366 . . . . 1.45 111.989 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.34 81.64 0.07 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 119.57 -0.572 . . . . 0.86 114.096 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? 59.46 171.55 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.59 0.756 . . . . 2.62 112.236 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -90.65 -42.0 11.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.679 0.391 . . . . 1.11 111.356 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.98 -23.49 48.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.373 0.509 . . . . 1.36 112.373 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.3 t -90.79 147.77 22.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.067 0.766 . . . . 1.13 113.067 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.0 158.87 15.25 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 115.438 -0.801 . . . . 0.79 109.946 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -86.69 154.06 21.26 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 120.562 0.22 . . . . 0.69 111.416 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.86 -20.7 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 112.898 0.703 . . . . 0.71 112.898 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -99.47 -36.99 9.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.761 0.424 . . . . 0.83 111.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.27 -38.67 88.36 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.83 0.678 . . . . 1.61 112.83 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.94 89.18 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.041 0.382 . . . . 0.66 110.979 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.02 -36.77 84.66 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.244 0.34 . . . . 0.81 111.181 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.75 -31.44 68.26 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.407 0.283 . . . . 0.69 110.9 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.55 -36.2 76.12 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.558 0.343 . . . . 0.68 111.184 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.74 -28.98 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.682 0.393 . . . . 0.48 111.579 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -92.46 -8.76 43.75 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.818 0.673 . . . . 0.83 112.818 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -123.41 -58.98 1.58 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.929 0.714 . . . . 0.98 112.929 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -96.44 -8.67 31.65 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.935 1.087 . . . . 0.73 113.935 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -143.24 49.58 1.2 Allowed Pre-proline 0 CA--C 1.559 1.324 0 CA-C-N 118.462 0.574 . . . . 0.62 111.962 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.9 -25.92 1.35 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.248 1.965 . . . . 0.48 114.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -80.58 -19.28 45.94 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.854 0.687 . . . . 0.81 112.854 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.43 -59.63 2.7 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.012 0.369 . . . . 0.88 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.43 114.14 22.95 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.883 -0.784 . . . . 0.7 108.883 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -51.55 -39.12 57.16 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.981 0.734 . . . . 1.23 112.981 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -93.29 110.33 21.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.356 0.262 . . . . 1.94 110.331 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -94.98 -31.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.491 0.317 . . . . 0.6 111.617 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 -49.49 3.29 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-O 119.904 -0.387 . . . . 0.67 112.828 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -82.21 90.09 6.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.022 0.439 . . . . 0.92 110.2 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.87 15.92 13.45 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.613 -0.722 . . . . 1.24 111.271 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.37 -31.92 60.66 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.203 0.446 . . . . 0.73 112.203 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.51 -38.73 90.57 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.208 0.203 . . . . 1.1 110.888 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -44.54 16.34 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.549 0.339 . . . . 1.47 110.596 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.2 ttp -55.44 -43.44 75.41 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.174 0.589 . . . . 0.81 112.152 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -64.21 -38.6 91.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.294 0.237 . . . . 2.39 110.584 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -72.32 -31.12 65.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.421 -0.354 . . . . 0.63 111.267 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' B' ' 79' ' ' LEU . 88.0 mt -68.7 -63.21 1.1 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 122.463 0.305 . . . . 0.69 110.951 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.37 77.89 9.1 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 121.403 0.62 . . . . 1.32 109.676 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.88 -32.24 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.138 -0.937 . . . . 0.72 111.941 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -70.49 -21.4 62.77 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.197 0.443 . . . . 1.38 112.197 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 62.4 59.42 1.55 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.29 0.636 . . . . 2.02 111.39 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.59 17.94 3.33 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.985 -0.552 . . . . 1.3 111.851 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m 56.97 31.25 19.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.176 0.59 . . . . 1.35 112.332 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -138.98 126.0 21.16 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.97 0.508 . . . . 2.4 110.438 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.73 68.96 0.86 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 123.384 0.427 . . . . 1.13 110.38 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 32' ' ' SER . 38.5 tttm -64.0 161.36 16.03 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.814 -0.613 . . . . 1.81 110.102 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.58 -28.92 34.83 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 118.881 0.764 . . . . 1.23 112.149 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.18 -34.23 70.73 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 122.385 0.274 . . . . 0.99 110.432 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.64 -31.33 17.58 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 0.93 110.34 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.664 ' HA ' HD22 ' B' ' 63' ' ' LEU . 25.1 t80 -79.98 -8.27 59.26 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.098 0.959 . . . . 0.71 111.171 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.17 57.03 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.912 0.885 . . . . 1.54 112.228 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.629 ' HB2' HD23 ' B' ' 63' ' ' LEU . 9.4 mmm-85 -73.45 -27.58 61.5 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 111.843 0.312 . . . . 2.15 111.843 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.786 ' HB2' HD21 ' B' ' 63' ' ' LEU . 12.1 tp -89.19 -32.4 17.47 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.567 0.347 . . . . 0.49 111.478 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mm -63.47 -37.4 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.692 -0.484 . . . . 0.56 109.692 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.0 92.42 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 111.823 -0.511 . . . . 0.42 111.823 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -77.42 -25.99 51.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.988 0.515 . . . . 0.91 110.958 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -48.12 81.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.822 0.449 . . . . 0.69 110.792 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.448 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -74.64 -32.91 62.43 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.218 0.451 . . . . 0.55 112.218 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.08 -28.36 62.25 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 122.632 0.373 . . . . 1.1 111.803 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 5.31 33.81 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.332 0.864 . . . . 1.68 113.332 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -36.76 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.582 0.628 . . . . 0.63 110.837 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -107.52 -29.98 8.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 113.458 0.911 . . . . 1.64 113.458 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -139.34 61.39 1.56 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 113.478 0.918 . . . . 1.65 113.478 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -35.41 55.34 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 109.774 -0.454 . . . . 2.03 109.774 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -137.51 70.14 1.4 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.214 -1.032 . . . . 1.36 108.214 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.614 0.968 . . . . 1.72 113.614 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.07 -44.9 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 111.771 0.286 . . . . 1.27 111.771 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -74.43 -48.85 25.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.912 0.485 . . . . 1.61 111.508 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 46.0 pt -127.83 145.41 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.228 0.611 . . . . 1.04 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -141.84 27.81 1.8 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.701 0.63 . . . . 2.42 112.701 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.75 101.33 0.57 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.181 -0.325 . . . . 1.86 111.759 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.087 -0.959 . . . . 1.85 109.976 178.735 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 120.703 0.287 . . . . 2.71 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.3 150.87 39.82 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 122.689 0.396 . . . . 1.02 111.048 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.19 107.05 15.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.473 -0.331 . . . . 0.7 110.247 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -106.18 129.73 24.09 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-O 119.078 -0.487 . . . . 1.02 110.218 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.67 126.03 21.1 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.785 2.323 . . . . 0.74 114.232 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.0 mt -125.16 -164.22 1.27 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.799 0.84 . . . . 1.19 109.551 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -55.67 159.65 2.89 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.486 0.584 . . . . 0.98 111.442 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -37.58 -57.98 0.91 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.883 1.438 . . . . 1.42 114.883 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.15 -31.08 67.27 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.188 0.449 . . . . 0.65 112.176 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.02 -29.8 63.29 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.878 -0.415 . . . . 1.03 109.878 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.23 -16.95 53.63 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.204 0.602 . . . . 0.81 111.763 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -57.53 -46.96 83.23 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.562 0.345 . . . . 0.63 111.44 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -87.49 -12.4 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 111.854 0.316 . . . . 0.56 111.854 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -75.33 -42.47 54.32 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.661 . . . . 1.0 111.33 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 m -64.05 -26.36 68.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.678 0.391 . . . . 0.77 111.807 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.1 t -73.62 -27.84 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 122.824 0.45 . . . . 0.5 110.566 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . 33.3 t -90.46 11.93 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 C-N-CA 123.164 0.586 . . . . 0.95 111.438 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 p -124.06 -46.84 1.93 Allowed 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.844 -0.535 . . . . 0.62 111.869 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -62.81 -44.65 95.6 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.567 0.951 . . . . 0.66 113.567 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -103.16 -24.96 13.54 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.881 1.067 . . . . 0.95 113.881 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.8 -22.53 66.69 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 112.869 0.692 . . . . 3.17 112.869 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 m -69.49 -29.41 67.05 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 117.886 0.312 . . . . 1.37 110.949 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -93.42 -36.5 12.45 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.122 0.569 . . . . 1.55 111.205 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 33' ' ' LEU . . . -75.29 -25.0 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.524 0.935 . . . . 0.83 113.524 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -60.87 -25.01 66.38 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.274 0.842 . . . . 1.55 113.274 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.18 -15.7 62.49 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.338 0.866 . . . . 1.8 113.338 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -122.69 105.53 10.15 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 112.956 0.725 . . . . 1.59 112.956 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 98.59 0.01 OUTLIER Glycine 0 C--N 1.352 1.432 0 N-CA-C 115.557 0.983 . . . . 0.92 115.557 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 56.77 168.82 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.089 0.956 . . . . 2.6 113.346 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -95.47 -8.82 34.29 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.415 0.894 . . . . 1.22 113.415 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.84 -31.08 11.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.374 0.879 . . . . 1.43 113.374 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.9 p -92.17 158.5 16.14 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.227 0.825 . . . . 1.09 113.227 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 6.5 mp -97.0 167.52 11.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.627 0.771 . . . . 0.76 110.512 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 t -86.4 154.87 20.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.326 0.25 . . . . 0.68 111.098 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.26 -27.36 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.59 0.589 . . . . 0.64 112.59 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -101.53 -40.0 7.25 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.112 0.782 . . . . 0.82 113.112 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.19 -26.68 64.01 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.07 0.767 . . . . 1.54 113.07 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.29 86.44 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.376 0.535 . . . . 0.65 110.691 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.17 -34.83 78.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.789 0.436 . . . . 0.87 111.059 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.53 -35.43 80.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.268 0.355 . . . . 0.73 110.399 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.44 -39.68 85.41 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.67 0.388 . . . . 0.65 111.196 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.42 -27.59 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.651 0.38 . . . . 0.45 111.249 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.37 26.5 9.78 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 122.525 0.33 . . . . 0.8 111.886 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -145.69 -62.43 0.33 Allowed 'General case' 0 C--N 1.358 0.962 0 O-C-N 122.071 -0.393 . . . . 1.1 111.883 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -103.06 -12.79 17.16 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.712 0.634 . . . . 0.84 112.712 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 4.3 tp -130.52 39.41 0.51 Allowed Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 112.397 0.517 . . . . 0.67 112.397 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 93.6 Cg_endo -80.4 -28.2 3.05 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.13 1.886 . . . . 0.52 114.502 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -79.23 -9.85 59.67 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.79 0.663 . . . . 0.85 112.79 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HG ' ' A' ' 83' ' ' LEU . 18.6 tp -87.47 -64.42 1.15 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.231 0.469 . . . . 0.87 110.985 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.74 108.8 16.37 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.904 -0.776 . . . . 0.73 108.904 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.12 -38.18 24.18 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.548 0.944 . . . . 1.32 113.548 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -104.43 99.18 8.87 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.817 -0.438 . . . . 2.08 109.817 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.9 m -96.24 -31.65 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.705 0.402 . . . . 0.71 111.623 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.33 -54.31 9.1 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 120.054 -0.303 . . . . 0.83 113.251 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.2 t -90.51 76.63 6.58 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.035 0.445 . . . . 0.85 110.323 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 49.97 0.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.85 -0.796 . . . . 1.22 108.85 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.1 -35.6 7.19 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.83 -0.623 . . . . 0.77 111.111 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.64 -30.47 71.49 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.282 0.233 . . . . 1.09 110.473 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -89.1 -35.3 16.37 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 123.082 0.553 . . . . 1.55 111.175 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.74 -38.87 76.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 111.967 0.358 . . . . 0.84 111.967 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.9 -34.16 77.18 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.173 0.189 . . . . 2.56 110.816 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 m -68.42 -35.99 78.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.619 0.368 . . . . 0.61 110.881 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 79' ' ' LEU . 33.1 mt -70.82 -59.35 2.85 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 122.278 0.231 . . . . 0.68 110.46 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.58 85.14 6.03 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 120.899 0.381 . . . . 1.39 110.148 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.7 p -102.05 -22.86 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.742 -0.663 . . . . 0.73 111.979 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.05 -17.98 48.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.28 0.474 . . . . 1.44 112.28 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.23 86.16 0.13 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.499 0.72 . . . . 1.96 111.176 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -158.58 -78.07 0.07 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.825 0.45 . . . . 1.41 110.657 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.1 t 173.58 -43.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.155 0.982 . . . . 1.31 110.842 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.2 153.25 40.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.312 0.645 . . . . 2.42 112.536 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.64 84.92 2.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.79 -0.641 . . . . 0.95 110.144 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.72 164.05 5.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.229 0.612 . . . . 1.89 109.786 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -29.4 70.72 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.087 0.858 . . . . 1.2 111.826 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.36 -29.21 64.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.373 -0.602 . . . . 0.98 109.373 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.67 -46.03 14.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.494 0.717 . . . . 1.03 109.393 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HA ' HD22 ' A' ' 63' ' ' LEU . 12.4 t80 -69.34 -15.97 63.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.953 0.901 . . . . 0.69 111.67 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -50.75 -31.79 17.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.845 0.858 . . . . 1.62 111.761 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.625 ' HB2' HD23 ' A' ' 63' ' ' LEU . 1.4 mmt-85 -61.72 -38.79 89.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.535 0.334 . . . . 1.96 111.558 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.689 ' HB2' HD21 ' A' ' 63' ' ' LEU . 10.0 tp -84.11 -35.44 23.69 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 119.212 -0.423 . . . . 0.53 111.132 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -53.28 -38.14 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 117.923 0.329 . . . . 0.61 110.351 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.69 86.4 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.028 -0.829 . . . . 0.47 111.028 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.26 -28.69 70.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.532 0.333 . . . . 0.86 111.317 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.423 ' HG ' HD23 ' A' ' 49' ' ' LEU . 7.5 mp -66.6 -52.23 47.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 117.857 0.299 . . . . 0.67 110.357 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.09 -12.82 60.01 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 112.974 0.731 . . . . 0.55 112.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.28 -39.31 11.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.029 0.532 . . . . 0.96 110.504 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.25 30.4 2.51 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.164 0.586 . . . . 1.65 111.784 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -45.05 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.65 0.38 . . . . 0.66 110.43 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 -36.53 8.75 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.125 0.417 . . . . 1.74 112.125 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -127.96 58.49 1.51 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.475 0.546 . . . . 1.52 112.475 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.53 78.92 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 122.24 -0.287 . . . . 1.87 110.802 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -134.72 73.48 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.191 -1.04 . . . . 1.53 108.191 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.28 -34.84 72.75 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.568 0.951 . . . . 1.81 113.568 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp -73.9 -39.16 64.06 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.025 0.38 . . . . 1.24 112.025 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -79.09 -56.17 4.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.54 0.336 . . . . 1.73 111.637 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.13 148.86 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 122.81 0.444 . . . . 1.06 111.448 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -140.46 42.97 1.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.539 0.335 . . . . 2.26 111.736 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -168.41 121.19 0.84 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.068 0.396 . . . . 1.74 112.068 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 1.71 110.684 179.135 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.847 0.314 . . . . 1.75 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.13 24.01 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 122.8 0.44 . . . . 0.78 111.359 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.02 136.91 36.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.412 0.285 . . . . 0.69 111.428 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -138.76 146.18 49.19 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 122.871 0.468 . . . . 1.1 110.976 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -80.73 141.57 13.71 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.76 2.307 . . . . 0.83 112.811 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -139.02 -61.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 111.928 0.344 . . . . 1.24 111.928 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.06 169.08 10.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.256 0.622 . . . . 1.06 110.548 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.54 -41.33 89.82 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.945 0.498 . . . . 1.51 112.116 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.32 -37.21 45.15 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.362 0.265 . . . . 0.65 111.637 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.94 -34.43 71.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.581 0.352 . . . . 0.95 111.19 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.44 -35.57 70.96 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 122.471 0.308 . . . . 0.85 110.83 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -56.56 -48.38 77.45 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.734 0.414 . . . . 0.56 111.838 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.08 -26.36 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 122.393 0.277 . . . . 0.53 111.585 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -32.33 60.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.198 0.599 . . . . 1.0 111.952 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -61.0 -31.63 71.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.841 0.456 . . . . 0.88 112.105 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.37 -32.42 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.363 0.265 . . . . 0.56 111.08 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 t -84.07 -53.06 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.618 0.367 . . . . 0.97 111.436 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.4 p -59.21 -46.4 88.54 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.272 1.212 . . . . 0.67 114.272 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -65.36 -48.44 72.95 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.833 0.679 . . . . 0.69 112.833 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -92.53 18.61 8.34 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 113.031 0.752 . . . . 1.02 113.031 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -75.27 -26.93 59.18 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.646 0.657 . . . . 3.08 110.926 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -60.67 -43.21 97.94 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.82 0.448 . . . . 1.37 110.933 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -80.38 -39.75 27.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.333 0.253 . . . . 1.54 110.778 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.95 -29.99 69.97 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.455 0.909 . . . . 0.85 113.455 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -88.72 9.31 24.81 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.173 0.805 . . . . 1.73 113.173 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -75.07 -37.76 61.52 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 117.969 0.349 . . . . 1.68 110.945 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.74 -175.81 2.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.267 0.627 . . . . 1.45 110.564 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.19 163.42 2.35 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.744 0.658 . . . . 0.86 114.744 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? 64.53 139.46 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.128 0.971 . . . . 2.62 111.02 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -76.94 -64.85 1.03 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 122.389 -0.194 . . . . 1.11 111.326 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -89.52 71.64 7.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.444 -0.576 . . . . 1.36 109.444 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -156.18 141.59 17.61 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.07 -0.514 . . . . 1.13 112.269 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.92 141.76 32.3 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.193 0.597 . . . . 0.79 109.476 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.4 t -81.1 161.4 24.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.051 0.141 . . . . 0.69 111.077 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.07 -31.69 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 112.808 0.67 . . . . 0.71 112.808 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -104.6 25.73 9.93 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 111.893 0.331 . . . . 0.83 111.893 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -121.33 -45.37 2.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.942 0.497 . . . . 1.61 111.456 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -65.25 -33.38 75.85 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.624 0.193 . . . . 0.66 110.764 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -71.02 -41.67 70.54 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.371 0.419 . . . . 0.81 110.251 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -69.71 -30.0 67.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.382 0.273 . . . . 0.69 111.449 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.3 -36.0 78.67 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 110.361 -0.237 . . . . 0.68 110.361 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.0 t -74.02 -23.56 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.041 0.536 . . . . 0.48 110.89 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -98.66 -14.36 19.88 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 112.858 0.688 . . . . 0.83 112.858 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -111.3 -60.51 1.83 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.265 0.839 . . . . 0.98 113.265 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -107.57 2.24 23.88 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 114.166 1.173 . . . . 0.73 114.166 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.415 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 0.4 OUTLIER -145.34 47.75 0.71 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-N 118.697 0.68 . . . . 0.62 112.317 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 60.3 Cg_endo -88.65 -23.93 0.92 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.424 2.083 . . . . 0.48 115.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.88 -28.18 28.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.219 0.452 . . . . 0.81 112.219 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.74 -52.98 20.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.775 0.287 . . . . 0.88 111.775 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.68 115.87 29.66 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.527 -0.545 . . . . 0.7 109.527 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.148 0.796 . . . . 1.23 113.148 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -85.07 82.22 8.53 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.762 0.255 . . . . 1.94 110.35 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.9 -35.32 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 116.487 -0.324 . . . . 0.6 111.453 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.72 -38.04 5.93 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-O 119.801 -0.444 . . . . 0.67 113.197 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -91.65 74.1 5.86 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.172 0.486 . . . . 0.92 110.896 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 3.28 34.45 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.831 -0.622 . . . . 1.24 111.557 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.42 -27.24 67.68 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.67 0.619 . . . . 0.73 112.67 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -66.1 -47.92 72.6 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.439 0.296 . . . . 1.1 111.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -75.12 -34.35 61.68 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 119.425 -0.321 . . . . 1.47 110.665 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.4 ttp -50.94 -42.18 59.55 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.272 0.629 . . . . 0.81 112.432 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -69.62 -41.77 75.22 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.733 0.413 . . . . 2.39 110.916 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -71.43 -30.67 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.971 0.508 . . . . 0.63 111.809 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' B' ' 78' ' ' ARG . 41.2 mt -70.16 -62.21 1.48 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.134 0.573 . . . . 0.69 110.779 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.93 77.09 6.99 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.269 0.557 . . . . 1.32 110.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 p -75.61 -29.9 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 115.377 -0.829 . . . . 0.72 111.488 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.01 -33.96 72.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.061 0.544 . . . . 1.38 111.902 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 66.07 68.53 0.45 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.291 0.636 . . . . 2.02 110.304 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.11 -63.9 1.35 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.963 -0.562 . . . . 1.3 110.8 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t 177.78 -49.75 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.488 0.715 . . . . 1.35 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.81 163.15 16.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.265 0.626 . . . . 2.4 111.205 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -96.33 99.03 10.75 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 1.13 110.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.54 166.3 19.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.92 -1.141 . . . . 1.81 107.92 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -20.96 62.49 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.02 0.827 . . . . 1.23 112.316 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.63 -29.81 61.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.408 -0.59 . . . . 0.99 109.408 175.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.27 -41.27 14.74 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 123.332 0.653 . . . . 0.93 109.781 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.41 ' HA ' HD22 ' B' ' 63' ' ' LEU . 20.1 t80 -67.58 -17.95 64.82 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.615 0.766 . . . . 0.71 110.563 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -37.98 -43.41 0.71 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 126.217 1.807 . . . . 1.54 113.982 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' B' ' 63' ' ' LEU . 18.8 mmm180 -68.69 -32.78 72.84 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.198 0.814 . . . . 2.15 113.198 -178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.497 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.8 tp -73.77 -28.72 61.81 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.227 0.467 . . . . 0.49 111.352 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 mm -68.51 -38.82 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 109.607 -0.516 . . . . 0.56 109.607 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.26 -38.89 88.06 Favored Glycine 0 C--N 1.358 1.804 0 N-CA-C 111.948 -0.461 . . . . 0.42 111.948 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.32 -25.18 54.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.681 0.393 . . . . 0.91 110.233 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -48.69 80.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.189 0.596 . . . . 0.69 110.964 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.36 -25.68 57.92 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.74 0.645 . . . . 0.55 112.74 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -75.98 -35.76 59.49 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.799 0.296 . . . . 1.1 111.799 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -79.79 -12.86 59.75 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.993 0.738 . . . . 1.68 112.993 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.443 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.3 OUTLIER -67.33 -42.59 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.686 0.675 . . . . 0.63 111.503 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -98.96 -43.39 6.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.501 0.321 . . . . 1.64 111.405 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -125.27 81.94 2.01 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 112.79 0.663 . . . . 1.65 112.79 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -84.84 -33.19 22.92 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 109.308 -0.627 . . . . 2.03 109.308 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -140.69 75.12 1.49 Allowed 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.68 0.792 . . . . 1.36 108.907 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -76.44 70.21 2.99 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.407 0.622 . . . . 1.72 110.816 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -171.3 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.239 -0.891 . . . . 1.27 109.93 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -93.43 -44.83 8.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.214 0.606 . . . . 1.61 110.265 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 10.9 pt -130.59 116.49 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.102 0.561 . . . . 1.04 111.296 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -140.3 50.4 1.7 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.939 0.399 . . . . 2.42 111.554 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -161.77 41.14 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 111.828 0.307 . . . . 1.86 111.828 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.01 -0.995 . . . . 1.85 110.757 179.78 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 113.116 0.784 . . . . 2.71 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.9 136.9 48.45 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.896 0.478 . . . . 1.02 110.435 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 116.46 22.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.527 0.203 . . . . 0.7 111.435 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.05 140.76 21.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 122.903 0.481 . . . . 1.02 110.711 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -62.95 138.2 66.76 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.532 2.155 . . . . 0.74 113.073 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -136.7 -122.87 0.15 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 118.796 -0.621 . . . . 1.19 110.182 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m -72.16 163.59 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 119.425 1.011 . . . . 0.98 110.651 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.67 -40.4 39.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 112.941 0.719 . . . . 1.42 112.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.59 -42.22 43.32 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.788 0.267 . . . . 0.65 110.982 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.25 -31.73 72.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.136 0.174 . . . . 1.03 110.755 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.32 -28.78 62.27 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.218 0.607 . . . . 0.81 111.36 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -57.82 -60.59 3.47 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 122.329 0.252 . . . . 0.63 110.858 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.9 pp -66.7 -27.88 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.684 0.253 . . . . 0.56 111.684 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.476 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.2 tm-20 -63.73 -40.86 97.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 1.0 111.862 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 m -64.41 -33.05 74.97 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.532 0.333 . . . . 0.77 111.127 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.7 t -70.3 -32.42 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.721 0.408 . . . . 0.5 110.995 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.85 -57.23 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.048 0.539 . . . . 0.95 111.851 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -62.5 -29.71 70.74 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.418 1.266 . . . . 0.62 114.418 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -75.56 -33.6 60.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.67 0.989 . . . . 0.66 113.67 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -107.61 -27.55 10.28 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.312 1.227 . . . . 0.95 114.312 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.71 -20.17 66.18 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.8 0.727 . . . . 3.17 112.39 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.0 m -70.37 -31.33 68.53 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.409 0.284 . . . . 1.37 111.339 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.99 -28.71 13.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.737 0.415 . . . . 1.55 112.068 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.68 -23.36 49.61 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.626 0.972 . . . . 0.83 113.626 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -64.27 -24.38 67.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.085 1.142 . . . . 1.55 114.085 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -72.61 -25.18 61.22 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.369 0.877 . . . . 1.8 113.369 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -77.07 -41.66 41.41 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.077 0.769 . . . . 1.59 113.077 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.91 122.69 0.69 Allowed Glycine 0 C--N 1.349 1.261 0 C-N-CA 120.882 -0.675 . . . . 0.92 113.227 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? 62.96 141.74 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.798 0.839 . . . . 2.6 111.091 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.81 -38.96 57.65 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.027 0.751 . . . . 1.22 113.027 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.67 27.88 3.68 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.155 0.428 . . . . 1.43 112.155 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -135.03 145.7 48.29 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.899 0.479 . . . . 1.09 110.794 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mp -99.15 162.46 13.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 0.76 110.646 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 t -87.43 165.93 15.19 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.718 0.407 . . . . 0.68 111.612 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -89.51 -25.68 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 122.883 0.473 . . . . 0.64 112.003 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -97.52 -38.81 9.43 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.851 0.315 . . . . 0.82 111.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.12 -35.48 74.13 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.446 0.536 . . . . 1.54 112.446 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -27.92 67.79 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.987 0.358 . . . . 0.65 111.124 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.07 -36.93 80.63 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 122.63 0.372 . . . . 0.87 110.099 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.03 -33.59 72.18 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.792 0.437 . . . . 0.73 110.455 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.06 -38.41 86.11 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.255 0.622 . . . . 0.65 111.414 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' HA ' ' HB3' ' A' ' 46' ' ' LEU . 51.1 t -81.64 -24.27 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 122.696 0.398 . . . . 0.45 111.399 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.4 m -90.89 -3.38 57.39 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.662 0.616 . . . . 0.8 112.662 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -131.75 -56.14 1.0 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 112.805 0.669 . . . . 1.1 112.805 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -99.81 2.53 44.08 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.543 0.942 . . . . 0.84 113.543 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 42' ' ' VAL . 4.5 tp -146.67 47.56 0.61 Allowed Pre-proline 0 CA--C 1.563 1.445 0 CA-C-N 118.254 0.479 . . . . 0.67 111.327 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 89.5 Cg_endo -82.5 -43.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.315 2.01 . . . . 0.52 114.326 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -63.2 -34.45 77.67 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.919 0.34 . . . . 0.85 111.919 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.39 -55.44 13.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.582 0.353 . . . . 0.87 110.453 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -113.58 81.85 1.58 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.702 -0.851 . . . . 0.73 108.702 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -57.49 -33.53 68.1 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.804 1.039 . . . . 1.32 113.804 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.25 78.4 6.92 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.054 0.454 . . . . 2.08 110.095 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.14 -32.48 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.897 -0.592 . . . . 0.71 112.292 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.69 59.22 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 119.693 -0.504 . . . . 0.83 113.516 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -90.95 53.2 2.32 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.248 0.524 . . . . 0.85 111.287 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -17.76 33.19 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.513 -0.312 . . . . 1.22 110.458 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -60.31 -31.53 70.36 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.626 0.371 . . . . 0.77 111.154 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.42 -36.86 74.26 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.851 0.46 . . . . 1.09 110.633 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.1 -39.28 13.73 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.897 0.479 . . . . 1.55 110.5 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 ttp -57.08 -33.98 67.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.173 0.589 . . . . 0.84 112.131 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.91 -37.21 85.49 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.349 0.26 . . . . 2.56 110.591 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.9 m -74.96 -31.13 61.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.859 0.464 . . . . 0.61 111.044 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 79' ' ' LEU . 60.8 mt -76.11 -59.38 2.78 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 122.351 0.261 . . . . 0.68 110.593 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -80.97 73.41 8.0 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.078 0.466 . . . . 1.39 110.299 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -96.82 -34.0 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.881 -0.599 . . . . 0.73 111.531 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -73.55 -27.89 61.58 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.553 0.341 . . . . 1.44 111.106 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 67.46 78.44 0.24 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.216 1.006 . . . . 1.96 111.836 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -143.33 8.45 1.59 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.885 -0.598 . . . . 1.41 112.157 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 61.09 18.33 8.91 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.294 0.638 . . . . 1.31 112.516 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -139.28 112.96 8.44 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.316 -0.624 . . . . 2.42 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.8 83.69 7.08 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.079 0.237 . . . . 0.95 111.624 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -60.97 164.86 4.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.056 -0.72 . . . . 1.89 109.056 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' B' ' 84' ' ' ALA . 12.3 t80 -63.69 -24.75 67.9 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.126 0.876 . . . . 1.2 112.273 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.6 -29.08 63.19 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.489 -0.56 . . . . 0.98 109.489 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.63 -40.69 15.93 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.547 -0.538 . . . . 1.03 109.547 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -71.66 -16.31 62.25 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.342 0.657 . . . . 0.69 111.267 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -53.53 -32.29 49.9 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.529 1.132 . . . . 1.62 112.666 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.547 ' HB2' HD23 ' A' ' 63' ' ' LEU . 53.4 mmm-85 -69.02 -26.03 64.79 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.584 0.587 . . . . 1.96 112.584 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 63' ' ' LEU . 12.8 tp -84.46 -32.57 23.96 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.109 0.413 . . . . 0.53 111.359 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.96 -35.56 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 117.801 0.273 . . . . 0.61 110.409 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.72 -38.03 89.42 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 111.5 -0.64 . . . . 0.47 111.5 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.36 -32.94 69.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.854 0.461 . . . . 0.86 110.619 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.4 -50.76 72.53 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.026 0.53 . . . . 0.67 111.36 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.56 -16.69 47.59 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.224 0.824 . . . . 0.55 113.224 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -82.36 -35.82 27.43 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.182 0.446 . . . . 0.96 110.865 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -80.38 -21.96 41.8 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.583 0.586 . . . . 1.65 112.583 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.433 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -62.87 -41.19 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-N 118.333 0.515 . . . . 0.66 111.486 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -47.05 12.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.23 0.212 . . . . 1.74 111.378 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -147.98 102.16 3.36 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.915 0.388 . . . . 1.52 111.812 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -38.36 13.06 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.032 -0.531 . . . . 1.87 109.72 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -117.39 81.49 1.66 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.085 -1.08 . . . . 1.53 108.085 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.32 63.3 1.39 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.307 0.484 . . . . 1.81 112.307 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.9 tp -176.43 -49.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.756 0.822 . . . . 1.24 110.805 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -81.22 -54.67 5.31 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.069 0.547 . . . . 1.73 111.734 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.06 127.72 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.686 0.394 . . . . 1.06 110.857 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -138.45 49.85 1.89 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.791 0.293 . . . . 2.26 111.791 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -170.63 101.43 0.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.566 0.347 . . . . 1.74 110.549 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.345 0.396 0 CA-C-O 121.018 0.437 . . . . 1.71 110.725 -179.35 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 120.181 0.039 . . . . 1.75 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 146.38 24.9 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.57 0.348 . . . . 0.78 110.882 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.78 111.69 23.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.485 0.314 . . . . 0.69 111.165 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -111.22 137.0 20.87 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 122.94 0.496 . . . . 1.1 110.671 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.11 145.48 11.05 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.429 2.086 . . . . 0.83 113.19 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.0 -65.16 0.49 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.64 0.376 . . . . 1.24 111.09 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 m -101.02 160.87 14.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.116 0.567 . . . . 1.06 110.043 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -55.79 -40.0 72.07 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.301 0.482 . . . . 1.51 112.301 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt -75.69 -39.08 58.06 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.684 0.394 . . . . 0.65 111.478 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.49 -36.15 78.53 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.127 -0.323 . . . . 0.95 110.127 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.142 0.577 . . . . 0.85 110.981 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -61.19 -53.83 51.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.35 0.26 . . . . 0.56 111.209 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.86 -18.56 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 112.186 0.439 . . . . 0.53 112.186 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -83.77 -38.51 21.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.299 0.64 . . . . 1.0 111.196 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -62.19 -31.83 72.39 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.558 0.343 . . . . 0.88 111.667 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.07 -32.12 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 110.355 -0.239 . . . . 0.56 110.355 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.45 -51.55 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.013 0.525 . . . . 0.97 110.894 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.7 p -60.47 -23.4 64.44 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.35 1.241 . . . . 0.67 114.35 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -85.02 -44.68 12.84 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.62 0.645 . . . . 0.69 112.132 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -98.32 3.14 48.66 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.444 1.275 . . . . 1.02 114.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -67.94 -33.27 74.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 119.546 1.067 . . . . 3.08 110.628 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -62.13 -38.41 88.86 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.855 0.462 . . . . 1.37 111.203 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -86.03 -32.7 21.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.818 0.447 . . . . 1.54 111.69 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.07 -26.83 63.23 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.608 0.966 . . . . 0.85 113.608 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -78.76 -1.95 37.12 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.857 1.058 . . . . 1.73 113.857 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.38 -36.34 79.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 118.296 0.498 . . . . 1.68 112.222 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -102.87 -175.94 2.95 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.661 0.384 . . . . 1.45 110.735 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.7 145.73 8.1 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 114.919 0.727 . . . . 0.86 114.919 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? 63.5 128.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.409 1.084 . . . . 2.62 111.475 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.43 -33.16 69.16 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.011 0.374 . . . . 1.11 112.011 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -98.38 33.69 2.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.571 0.349 . . . . 1.36 111.337 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -134.29 146.18 49.78 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 122.489 0.316 . . . . 1.13 111.441 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.93 151.83 21.28 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.051 -0.522 . . . . 0.79 110.346 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.0 t -80.45 148.97 30.28 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.677 -0.49 . . . . 0.69 109.677 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.27 -14.92 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 112.431 0.53 . . . . 0.71 112.431 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -102.48 -35.39 8.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.771 0.428 . . . . 0.83 111.538 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.65 -35.47 70.37 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 112.904 0.705 . . . . 1.61 112.904 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.82 -35.12 79.79 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.934 0.334 . . . . 0.66 110.474 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -67.67 -37.37 82.25 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.779 0.431 . . . . 0.81 110.574 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.59 -36.35 78.59 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.615 0.366 . . . . 0.69 110.923 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.35 -35.32 80.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.512 0.325 . . . . 0.68 110.54 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.32 -29.21 30.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.11 0.564 . . . . 0.48 111.092 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -101.49 13.61 34.46 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.181 0.437 . . . . 0.83 112.181 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -135.73 -46.1 0.67 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.212 0.449 . . . . 0.98 112.212 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -117.16 -14.46 10.52 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.426 0.898 . . . . 0.73 113.426 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.49 38.92 0.46 Allowed Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 112.789 0.663 . . . . 0.62 112.789 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -75.76 -36.87 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.192 1.928 . . . . 0.48 114.51 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.86 -24.39 62.5 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.446 0.535 . . . . 0.81 112.446 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.15 -60.16 2.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.45 0.3 . . . . 0.88 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.0 mt -92.27 108.52 20.02 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.188 -0.671 . . . . 0.7 109.188 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -52.22 -37.14 54.14 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.696 0.628 . . . . 1.23 112.696 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -99.24 82.43 2.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 122.355 0.262 . . . . 1.94 111.392 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.16 -32.4 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 111.803 0.298 . . . . 0.6 111.803 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.34 -43.37 8.02 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 119.807 -0.44 . . . . 0.67 112.429 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -87.06 78.2 8.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.103 0.477 . . . . 0.92 110.014 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.26 9.16 19.95 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.245 -0.889 . . . . 1.24 110.533 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.71 -34.9 65.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.961 0.356 . . . . 0.73 111.961 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.31 -35.53 77.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.248 0.219 . . . . 1.1 110.98 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.22 -29.58 19.16 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.102 0.561 . . . . 1.47 111.502 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 45.1 ttp -64.68 -41.5 96.01 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.631 0.604 . . . . 0.81 112.631 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.82 -42.13 77.64 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.998 0.363 . . . . 2.39 110.446 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -66.33 -38.56 87.94 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.467 0.307 . . . . 0.63 110.402 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.68 -41.81 95.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.456 0.703 . . . . 0.69 110.758 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -106.72 64.47 0.65 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.105 0.562 . . . . 1.32 110.359 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.22 -26.17 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 116.244 -0.434 . . . . 0.72 111.108 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.56 -28.57 66.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.051 0.54 . . . . 1.38 111.526 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 64.53 73.54 0.42 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.379 1.072 . . . . 2.02 112.558 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -152.14 15.82 0.63 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.237 0.458 . . . . 1.3 112.237 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t 57.2 29.22 16.31 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.762 0.825 . . . . 1.35 112.882 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -138.02 123.23 19.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.627 0.371 . . . . 2.4 110.088 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.55 76.47 1.83 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.53 0.332 . . . . 1.13 111.044 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -65.6 154.69 38.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.393 -0.966 . . . . 1.81 108.393 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -27.44 43.24 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 118.845 0.748 . . . . 1.23 112.959 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.42 -39.19 81.67 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 110.07 -0.344 . . . . 0.99 110.07 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -88.97 -23.79 22.57 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.348 0.659 . . . . 0.93 111.356 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -80.66 -6.1 57.9 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.028 0.531 . . . . 0.71 111.116 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -19.51 63.62 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.471 0.708 . . . . 1.54 112.564 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.53 -43.21 97.41 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 118.322 0.51 . . . . 2.15 111.495 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.0 tp -79.95 -23.24 41.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.392 0.277 . . . . 0.49 111.046 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.83 -35.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.771 0.428 . . . . 0.56 110.427 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.21 63.94 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 111.817 -0.513 . . . . 0.42 111.817 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.28 -14.92 59.22 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.91 111.313 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -56.99 13.34 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.403 0.681 . . . . 0.69 111.285 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.595 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -89.39 -6.04 56.93 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.66 0.615 . . . . 0.55 112.66 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -89.5 -32.8 17.02 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.886 0.312 . . . . 1.1 110.901 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -96.93 27.81 3.83 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.288 0.235 . . . . 1.68 111.592 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.22 -42.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.839 0.456 . . . . 0.63 110.157 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -32.06 9.94 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.608 0.363 . . . . 1.64 111.836 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -129.56 57.68 1.66 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 121.466 0.65 . . . . 1.65 111.351 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -39.1 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.81 -0.632 . . . . 2.03 111.182 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -127.15 74.34 1.5 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.974 -1.121 . . . . 1.36 107.974 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.0 74.13 2.89 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tp -173.94 -51.25 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.124 0.57 . . . . 1.27 111.054 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -91.49 -37.86 12.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.536 0.334 . . . . 1.61 111.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 25.0 pt -122.33 141.88 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.83 0.452 . . . . 1.04 110.674 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -149.53 19.99 0.93 Allowed 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.923 0.712 . . . . 2.42 112.923 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.65 102.09 2.36 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.721 0.296 . . . . 1.86 110.513 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.191 -0.909 . . . . 1.85 110.611 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 113.211 0.819 . . . . 2.71 113.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.8 149.09 37.54 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 122.727 0.411 . . . . 1.02 111.728 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.539 ' HB1' ' HG2' ' A' ' 14' ' ' GLU . . . -100.44 105.05 16.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.838 0.455 . . . . 0.7 110.769 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.28 144.0 27.29 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.257 0.623 . . . . 1.02 111.414 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.67 131.34 41.73 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.87 2.38 . . . . 0.74 113.364 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.9 mt -127.94 -146.83 0.34 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 109.171 -0.677 . . . . 1.19 109.171 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -63.13 178.29 0.52 Allowed 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.247 0.931 . . . . 0.98 111.839 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -55.24 -46.1 76.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.242 0.83 . . . . 1.42 113.242 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.72 -40.97 27.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.716 0.235 . . . . 0.65 111.383 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -66.27 -25.34 66.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.612 0.365 . . . . 1.03 111.603 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.83 -28.08 26.33 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.065 0.546 . . . . 0.81 111.036 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.4 m -56.96 -54.32 48.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.655 0.382 . . . . 0.63 111.114 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.61 -22.99 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 O-C-N 123.097 0.248 . . . . 0.56 111.53 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 2.0 tm-20 -71.85 -38.78 70.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.693 0.397 . . . . 1.0 110.407 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -58.8 -36.4 74.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.695 0.398 . . . . 0.77 111.557 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.09 -32.89 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.46 0.304 . . . . 0.5 110.979 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.59 -60.79 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 0.95 110.755 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -58.34 -32.48 68.56 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.628 0.974 . . . . 0.62 113.628 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.96 -41.6 82.2 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.393 0.516 . . . . 0.66 112.393 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -105.78 5.68 31.09 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.554 0.946 . . . . 0.95 113.554 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -71.98 -26.16 62.14 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 118.979 0.809 . . . . 3.17 110.858 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.6 m -67.15 -35.44 79.71 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.941 0.496 . . . . 1.37 110.781 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.71 -37.58 19.23 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.837 0.455 . . . . 1.55 110.592 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.27 73.88 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.848 0.684 . . . . 0.83 112.848 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.18 -14.47 59.45 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 112.744 0.646 . . . . 1.55 112.744 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.76 -37.03 85.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.683 0.623 . . . . 1.8 112.683 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.38 -170.85 1.83 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.024 0.529 . . . . 1.59 111.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.38 133.74 33.92 Favored Glycine 0 C--N 1.359 1.85 0 N-CA-C 114.861 0.704 . . . . 0.92 114.861 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 61.48 141.98 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.258 1.023 . . . . 2.6 113.043 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.32 -36.42 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.65 -0.705 . . . . 1.22 111.816 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -76.98 -16.97 59.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.313 0.857 . . . . 1.43 113.313 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.5 p -104.05 143.85 32.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.179 0.807 . . . . 1.09 113.179 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.11 148.6 22.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.656 0.782 . . . . 0.76 109.241 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -81.56 143.96 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 117.672 0.215 . . . . 0.68 111.088 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.13 -22.72 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 112.565 0.58 . . . . 0.64 112.565 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -93.32 -34.67 13.42 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.729 0.412 . . . . 0.82 111.622 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -75.0 -39.31 61.3 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.59 0.589 . . . . 1.54 112.59 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -33.63 76.04 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.796 0.271 . . . . 0.65 111.15 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -63.39 -35.79 81.58 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.241 0.338 . . . . 0.87 110.874 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.09 -32.08 71.26 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.501 0.32 . . . . 0.73 110.812 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.62 -30.94 71.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.941 0.497 . . . . 0.65 110.981 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.404 HG13 HD12 ' A' ' 50' ' ' LEU . 92.9 t -77.45 -32.54 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.845 0.458 . . . . 0.45 112.045 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.82 14.82 28.99 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.15 0.796 . . . . 0.8 113.15 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -141.52 -55.38 0.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.597 0.635 . . . . 1.1 112.653 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -106.74 -1.82 22.22 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.053 0.76 . . . . 0.84 113.053 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tp -144.23 46.77 0.67 Allowed Pre-proline 0 CA--C 1.562 1.41 0 CA-C-N 118.182 0.446 . . . . 0.67 112.081 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.54 -40.42 0.11 Allowed 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 122.183 1.922 . . . . 0.52 114.305 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -65.22 -25.69 67.8 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.234 0.457 . . . . 0.85 112.234 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -70.83 -56.0 7.28 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.642 0.377 . . . . 0.87 111.144 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 HG13 ' A' ' 42' ' ' VAL . 89.8 mt -98.21 106.0 18.23 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.603 0.564 . . . . 0.73 110.255 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -51.92 -37.13 51.47 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 112.999 0.74 . . . . 1.32 112.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -102.05 94.5 5.8 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 123.321 0.388 . . . . 2.08 110.372 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -85.63 -26.55 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 112.149 0.425 . . . . 0.71 112.149 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.62 -56.18 3.02 Favored Glycine 0 C--N 1.355 1.626 0 CA-C-O 119.666 -0.519 . . . . 0.83 112.804 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -83.39 76.12 9.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.167 0.508 . . . . 0.85 110.66 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.92 -5.77 37.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.42 -0.809 . . . . 1.22 110.714 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.56 -33.32 69.8 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.397 0.888 . . . . 0.77 113.397 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -56.86 -40.56 76.37 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.925 0.33 . . . . 1.09 111.275 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -93.54 -25.98 17.34 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.295 0.372 . . . . 1.55 111.032 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.4 ' HA ' HD12 ' A' ' 63' ' ' LEU . 40.6 ttp -67.84 -38.29 82.99 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.679 0.392 . . . . 0.84 111.575 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -64.42 -37.85 88.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.389 -0.226 . . . . 2.56 110.389 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -77.01 -35.5 56.99 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.61 0.364 . . . . 0.61 110.484 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 60' ' ' MET . 9.6 mt -57.75 -51.1 70.96 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.465 0.706 . . . . 0.68 110.978 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.3 70.09 5.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.554 -0.535 . . . . 1.39 109.554 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.9 p -90.49 -18.89 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 115.616 -0.72 . . . . 0.73 112.122 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -85.04 -20.82 29.85 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 111.976 0.361 . . . . 1.44 111.976 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 61.66 75.66 0.4 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.869 0.867 . . . . 1.96 111.398 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -150.17 18.03 0.86 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.017 -0.538 . . . . 1.41 112.204 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t 72.54 -54.6 0.69 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.273 1.029 . . . . 1.31 112.408 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.24 147.04 28.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 2.42 111.096 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.64 101.62 11.05 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.908 0.483 . . . . 0.95 110.966 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -65.16 171.7 3.54 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.055 -0.72 . . . . 1.89 109.055 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.84 -30.49 71.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.504 1.047 . . . . 1.2 111.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.64 -29.46 66.94 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 0.98 109.675 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.46 -39.08 23.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.097 0.559 . . . . 1.03 110.192 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -69.63 -18.96 63.63 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.507 0.723 . . . . 0.69 111.04 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -49.32 -29.5 6.14 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.151 1.38 . . . . 1.62 113.434 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -61.23 -38.49 86.84 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.724 0.41 . . . . 1.96 111.393 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.49 -27.02 32.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.207 0.317 . . . . 0.53 110.711 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.55 -39.35 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.727 0.411 . . . . 0.61 110.131 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.87 92.3 Favored Glycine 0 C--N 1.354 1.572 0 O-C-N 123.22 0.325 . . . . 0.47 112.516 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.38 -16.48 60.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.87 0.468 . . . . 0.86 112.011 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.07 -46.39 89.72 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.029 0.532 . . . . 0.67 111.386 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . . . -97.08 -13.5 22.16 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.475 0.546 . . . . 0.55 112.475 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -80.04 -30.8 39.5 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.481 0.312 . . . . 0.96 110.377 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.51 -9.49 41.16 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.338 0.496 . . . . 1.65 112.338 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -73.57 -39.37 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.659 0.663 . . . . 0.66 110.539 179.192 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -103.04 -39.59 6.83 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.349 0.5 . . . . 1.74 112.349 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -127.89 76.74 1.71 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.522 0.564 . . . . 1.52 112.522 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.22 -37.29 20.26 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.571 -0.286 . . . . 1.87 110.296 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -132.72 77.2 1.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.886 -1.153 . . . . 1.53 107.886 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -49.54 -38.91 32.74 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.347 1.24 . . . . 1.81 114.347 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.59 56.65 0.63 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.139 0.495 . . . . 1.24 111.077 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -164.0 -52.3 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.042 -0.526 . . . . 1.73 110.679 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.2 pt -132.08 123.82 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.215 0.606 . . . . 1.06 110.41 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -129.42 29.62 5.07 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.599 0.592 . . . . 2.26 112.599 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -154.75 85.63 1.11 Allowed 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.121 0.486 . . . . 1.74 111.238 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--N 1.351 0.651 0 CA-C-N 115.84 -0.618 . . . . 1.71 110.391 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 111.781 0.289 . . . . 1.75 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.39 146.13 23.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.729 0.412 . . . . 0.78 111.423 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.21 119.64 30.7 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 122.612 0.365 . . . . 0.69 110.776 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -114.74 141.27 26.5 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 122.845 0.458 . . . . 1.1 111.647 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.35 132.9 11.58 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.575 2.183 . . . . 0.83 112.832 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.88 -60.23 0.98 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.816 0.446 . . . . 1.24 111.262 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -119.65 164.77 15.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.485 0.714 . . . . 1.06 109.899 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -51.4 -54.01 30.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.975 0.731 . . . . 1.51 112.975 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.19 -35.93 80.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.056 0.391 . . . . 0.65 112.056 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.17 -37.08 75.08 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 110.335 -0.246 . . . . 0.95 110.335 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.56 -36.36 76.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.279 0.632 . . . . 0.85 111.252 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 -50.82 69.37 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.415 0.286 . . . . 0.56 111.564 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -78.68 -23.15 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 112.374 0.509 . . . . 0.53 112.374 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.61 -37.24 65.48 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.871 0.468 . . . . 1.0 110.767 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.52 0.328 . . . . 0.88 111.485 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.78 -34.36 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.516 0.326 . . . . 0.56 110.653 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.53 -59.04 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 122.931 0.492 . . . . 0.97 110.451 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -63.43 -19.34 64.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.774 1.398 . . . . 0.67 114.774 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.6 m -83.21 -40.78 19.2 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.75 0.704 . . . . 0.69 112.293 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -97.87 -21.91 16.64 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.201 0.815 . . . . 1.02 113.201 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . 0.556 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 3.0 m-85 -63.1 -18.22 63.16 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.325 0.861 . . . . 3.08 113.325 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -61.71 -33.98 74.98 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.229 0.468 . . . . 1.37 110.785 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.79 -24.09 12.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.108 0.563 . . . . 1.54 111.285 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' B' ' 21' ' ' PHE . . . -66.97 -21.64 65.96 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.345 0.869 . . . . 0.85 113.345 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -90.27 39.31 0.96 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.625 0.37 . . . . 1.73 111.177 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -114.43 -42.75 3.26 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.784 0.434 . . . . 1.68 111.946 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -115.52 102.24 9.62 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 112.782 0.66 . . . . 1.45 112.782 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 113.96 0.01 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 115.498 0.959 . . . . 0.86 115.498 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 57.6 151.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.355 1.062 . . . . 2.62 113.691 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -84.38 -33.93 23.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.739 -0.664 . . . . 1.11 112.103 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -99.97 43.65 1.05 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.485 0.55 . . . . 1.36 112.485 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 75.7 p -147.85 148.81 31.27 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 111.737 0.273 . . . . 1.13 111.737 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.79 136.17 37.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.077 0.551 . . . . 0.79 109.661 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t -74.37 157.89 34.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 111.893 0.331 . . . . 0.69 111.893 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.65 -33.2 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 116.075 -0.511 . . . . 0.71 112.127 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -88.91 -22.29 23.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.994 0.368 . . . . 0.83 111.994 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -84.11 -37.32 22.16 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.566 0.58 . . . . 1.61 112.566 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.89 -34.79 77.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.105 0.411 . . . . 0.66 110.984 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -59.43 -41.95 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.163 0.585 . . . . 0.81 110.745 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.02 -30.08 62.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.785 0.434 . . . . 0.69 111.168 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.01 -32.78 74.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.695 0.398 . . . . 0.68 110.935 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.64 -29.57 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 122.916 0.486 . . . . 0.48 110.892 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -106.08 41.88 1.34 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 122.912 0.485 . . . . 0.83 111.501 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -162.59 -59.99 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 O-C-N 122.276 -0.265 . . . . 0.98 111.401 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.69 -11.74 15.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.149 0.796 . . . . 0.73 113.149 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tp -134.31 44.89 1.31 Allowed Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 112.348 0.499 . . . . 0.62 112.348 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -85.03 -36.55 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 122.312 2.008 . . . . 0.48 115.642 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.28 -33.38 63.24 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.148 0.425 . . . . 0.81 112.148 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.84 -59.52 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.879 0.472 . . . . 0.88 111.199 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.35 111.01 23.46 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.004 -0.739 . . . . 0.7 109.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -28.93 66.73 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.096 0.776 . . . . 1.23 113.096 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.18 77.84 6.88 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 120.78 0.324 . . . . 1.94 110.697 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 m -88.4 -24.46 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 112.682 0.623 . . . . 0.6 112.682 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.81 -59.16 1.14 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-O 119.837 -0.424 . . . . 0.67 113.378 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.0 t -75.09 82.81 2.29 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.171 0.51 . . . . 0.92 111.476 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 -13.17 58.93 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.782 0.66 . . . . 1.24 112.782 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.39 -39.71 67.51 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.66 0.985 . . . . 0.73 113.66 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.9 -31.33 72.21 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.161 0.437 . . . . 1.1 111.249 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.11 47.25 1.22 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 122.808 0.443 . . . . 1.47 111.102 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttp -138.53 -49.98 0.55 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.454 0.302 . . . . 0.81 110.636 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -70.32 -34.03 72.21 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.071 0.232 . . . . 2.39 110.422 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -71.94 -31.9 66.79 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.685 0.394 . . . . 0.63 111.692 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.21 -60.7 2.12 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 110.154 -0.313 . . . . 0.69 110.154 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.28 71.2 10.54 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.313 0.578 . . . . 1.32 109.513 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -72.99 -29.61 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 115.608 -0.723 . . . . 0.72 112.066 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -75.08 -23.01 57.95 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.057 0.392 . . . . 1.38 112.057 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 65.61 74.81 0.36 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.442 0.697 . . . . 2.02 111.594 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.93 12.4 0.86 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 112.961 0.726 . . . . 1.3 112.961 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 62.5 m 58.6 24.79 12.43 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.217 0.821 . . . . 1.35 113.217 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -138.16 101.85 4.51 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.141 -0.688 . . . . 2.4 109.141 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.86 87.97 7.16 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.485 0.314 . . . . 1.13 111.837 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -67.15 174.94 2.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.903 -0.777 . . . . 1.81 108.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 3.2 t80 -66.57 -20.47 66.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.285 0.948 . . . . 1.23 111.447 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.91 -31.75 56.92 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.697 -0.483 . . . . 0.99 109.697 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.64 -48.08 9.85 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.905 0.482 . . . . 0.93 109.993 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.53 -21.08 66.58 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.592 0.757 . . . . 0.71 110.354 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -32.5 -49.07 0.2 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.224 1.81 . . . . 1.54 113.959 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.61 -36.32 71.61 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.758 0.651 . . . . 2.15 112.758 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -74.59 -39.52 62.15 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.341 -0.362 . . . . 0.49 111.259 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.54 -31.36 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 109.875 -0.417 . . . . 0.56 109.875 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.11 -40.21 88.31 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.681 -0.968 . . . . 0.42 110.681 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.8 -26.5 61.53 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 122.993 0.517 . . . . 0.91 111.174 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.01 -58.72 7.42 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.833 0.453 . . . . 0.69 110.87 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.43 -15.95 56.96 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.97 0.729 . . . . 0.55 112.97 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -84.14 -37.4 21.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.035 0.38 . . . . 1.1 110.541 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.56 26.13 6.43 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.774 0.657 . . . . 1.68 112.774 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.526 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.0 OUTLIER -93.33 -39.02 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.578 -0.897 . . . . 0.63 108.578 176.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -103.16 -33.46 9.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.18 0.592 . . . . 1.64 111.919 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -128.61 62.13 1.47 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.314 0.487 . . . . 1.65 112.314 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -73.61 -42.5 61.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 122.391 -0.193 . . . . 2.03 110.89 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -128.02 73.13 1.44 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.335 -0.617 . . . . 1.36 109.335 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.95 69.8 2.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.384 0.611 . . . . 1.72 111.072 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 tp -162.0 -53.23 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.493 -0.776 . . . . 1.27 110.968 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -100.55 -41.41 6.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.819 0.447 . . . . 1.61 111.209 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 pt -120.6 125.26 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.092 0.557 . . . . 1.04 110.208 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -142.19 36.15 1.53 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.431 0.53 . . . . 2.42 112.431 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -162.23 103.5 1.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.158 0.429 . . . . 1.86 112.158 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.227 -0.892 . . . . 1.85 110.383 178.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 112.704 0.631 . . . . 2.71 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 155.88 16.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.351 0.26 . . . . 1.02 111.469 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 118.29 36.37 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 122.803 0.441 . . . . 0.7 110.76 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.77 132.79 20.58 Favored Pre-proline 0 N--CA 1.477 0.903 0 CA-C-O 119.125 -0.464 . . . . 1.02 110.842 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -63.43 126.62 18.05 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.392 2.061 . . . . 0.74 112.374 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.3 mt -124.75 -154.64 0.63 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.18 0.592 . . . . 1.19 110.313 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -56.91 156.7 6.41 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.438 0.563 . . . . 0.98 111.595 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -36.64 -53.06 0.9 Allowed 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 114.667 1.358 . . . . 1.42 114.667 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.7 -43.29 76.35 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.104 0.411 . . . . 0.65 111.571 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.27 -31.25 71.95 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.268 0.355 . . . . 1.03 111.297 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -80.04 -25.31 40.21 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.986 0.515 . . . . 0.81 112.018 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.6 m -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 117.762 0.255 . . . . 0.63 110.569 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.76 -18.55 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.484 0.314 . . . . 0.56 111.535 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -72.8 -41.86 64.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.287 0.635 . . . . 1.0 110.845 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 m -59.19 -28.12 66.34 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 122.824 0.449 . . . . 0.77 111.597 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.86 -26.99 38.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.976 0.51 . . . . 0.5 111.184 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.26 40.38 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.319 0 C-N-CA 123.039 0.536 . . . . 0.95 110.913 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -149.05 -49.53 0.15 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.459 0.54 . . . . 0.62 112.459 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -62.99 -53.66 50.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.087 0.403 . . . . 0.66 112.087 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CD1' HD13 ' A' ' 41' ' ' LEU . 23.7 t80 -100.79 8.86 43.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.306 0.484 . . . . 0.95 112.306 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -68.38 -28.93 67.54 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.332 0.515 . . . . 3.17 111.101 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m -63.05 -39.7 95.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.616 0.367 . . . . 1.37 110.73 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.89 -26.88 33.77 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.442 0.297 . . . . 1.55 111.041 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.82 75.14 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.342 0.497 . . . . 0.83 112.342 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -81.84 -1.83 48.88 Favored 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 113.15 0.796 . . . . 1.55 113.15 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -65.05 -42.53 94.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.255 0.48 . . . . 1.8 111.102 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -94.11 -176.7 4.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.04 0.536 . . . . 1.59 110.484 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.38 151.2 8.03 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.304 0.482 . . . . 0.92 114.304 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 63.29 115.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.929 0.892 . . . . 2.6 111.252 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.66 -37.59 86.93 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.309 0.485 . . . . 1.22 112.309 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -94.49 30.74 1.91 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 111.922 0.341 . . . . 1.43 111.922 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 t -135.42 156.6 48.65 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 122.978 0.511 . . . . 1.09 111.148 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.16 151.9 25.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.854 0.462 . . . . 0.76 110.13 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -80.55 157.48 26.07 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 110.596 -0.149 . . . . 0.68 110.596 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -30.86 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 112.058 0.392 . . . . 0.64 112.058 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -90.56 -32.35 16.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.649 0.38 . . . . 0.82 111.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.62 -35.61 65.36 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.396 0.517 . . . . 1.54 112.396 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -35.89 82.44 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.851 0.296 . . . . 0.65 110.396 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -63.63 -39.4 94.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.847 0.459 . . . . 0.87 110.895 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.06 -32.54 73.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.516 0.326 . . . . 0.73 110.993 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 20' ' ' PHE . 28.8 tp -66.73 -31.61 72.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.585 0.354 . . . . 0.65 111.007 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -81.4 -21.7 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.733 0.413 . . . . 0.45 111.756 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -110.43 34.48 3.91 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 118.146 0.43 . . . . 0.8 112.108 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.27 -48.63 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.485 0.55 . . . . 1.1 112.485 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -110.14 -21.81 12.09 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.709 0.633 . . . . 0.84 112.709 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -128.8 40.62 0.62 Allowed Pre-proline 0 CA--C 1.565 1.544 0 N-CA-C 112.4 0.519 . . . . 0.67 112.4 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.76 -37.24 0.27 Allowed 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.054 1.836 . . . . 0.52 114.496 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -69.25 -27.21 65.25 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.216 0.45 . . . . 0.85 112.216 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 ' HG ' ' A' ' 83' ' ' LEU . 12.5 tp -68.2 -61.58 1.78 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.086 0.154 . . . . 0.87 110.9 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -84.84 113.79 21.62 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 108.695 -0.854 . . . . 0.73 108.695 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -34.26 51.89 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.312 0.856 . . . . 1.32 113.312 -178.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -106.86 116.89 32.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.748 0.419 . . . . 2.08 110.292 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.9 m -105.49 -34.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 112.393 0.516 . . . . 0.71 112.393 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.94 -53.87 5.58 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 120.002 -0.332 . . . . 0.83 113.292 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 t -88.26 74.84 8.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.169 0.509 . . . . 0.85 110.836 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -2.72 57.62 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.871 -0.604 . . . . 1.22 111.453 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.85 -23.24 66.14 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.426 0.899 . . . . 0.77 113.426 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.88 -42.36 97.51 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.03 0.377 . . . . 1.09 111.179 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.58 -27.02 17.62 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.377 0.423 . . . . 1.55 111.818 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.2 ttp -56.82 -34.4 67.69 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.375 0.509 . . . . 0.84 112.375 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.71 -39.39 93.57 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.533 0.333 . . . . 2.56 111.32 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -68.83 -32.98 73.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.433 0.293 . . . . 0.61 111.373 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 79' ' ' LEU . 54.6 mt -71.82 -54.97 8.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.57 0.348 . . . . 0.68 110.609 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.0 64.86 4.72 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.982 0.42 . . . . 1.39 110.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -89.81 -35.03 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.957 -0.565 . . . . 0.73 110.262 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.79 -33.19 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.747 0.419 . . . . 1.44 110.011 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 64.44 82.57 0.18 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.118 0.967 . . . . 1.96 111.94 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.49 18.88 0.93 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.849 -0.614 . . . . 1.41 111.846 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.9 t 58.79 25.58 13.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.707 0.803 . . . . 1.31 113.003 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -144.37 127.01 16.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.676 -0.491 . . . . 2.42 109.676 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -104.61 82.26 1.88 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.007 0.432 . . . . 0.95 110.883 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -68.18 156.82 36.75 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.757 -0.656 . . . . 1.89 109.61 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.39 -30.92 61.32 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.665 0.666 . . . . 1.2 112.059 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -67.56 -26.82 66.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 117.644 0.202 . . . . 0.98 110.952 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.29 -31.7 11.22 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.5 0.72 . . . . 1.03 111.194 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.518 ' HA ' HD22 ' A' ' 63' ' ' LEU . 68.1 t80 -82.78 -4.13 57.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.867 0.867 . . . . 0.69 112.385 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -17.94 64.97 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.113 0.415 . . . . 1.62 111.889 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.526 ' HB2' HD23 ' A' ' 63' ' ' LEU . 49.2 mmm-85 -64.29 -35.38 80.68 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 110.272 -0.27 . . . . 1.96 110.272 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 63' ' ' LEU . 7.8 tp -81.59 -36.61 28.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 109.851 -0.425 . . . . 0.53 109.851 178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mm -58.3 -41.69 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 122.725 0.41 . . . . 0.61 110.05 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.08 83.61 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 111.522 -0.631 . . . . 0.47 111.522 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.75 -21.44 61.02 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.304 0.642 . . . . 0.86 111.421 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' ' 49' ' ' LEU . 1.3 mp -66.5 -46.52 75.97 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.593 -0.521 . . . . 0.67 109.593 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -83.97 -12.21 55.65 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.926 -0.579 . . . . 0.55 111.954 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -89.18 -44.21 10.46 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 122.56 0.344 . . . . 0.96 110.567 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.2 51.41 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.118 0.485 . . . . 1.65 110.849 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.56 -42.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.536 0.734 . . . . 0.66 109.561 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.23 -29.49 9.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.044 0.537 . . . . 1.74 111.248 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -120.06 33.73 5.49 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.752 0.649 . . . . 1.52 112.752 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 122.027 -0.421 . . . . 1.87 110.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -142.23 57.84 1.46 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.944 -0.761 . . . . 1.53 108.944 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.63 -27.91 69.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.022 0.749 . . . . 1.81 113.022 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.93 -35.6 78.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 111.919 0.34 . . . . 1.24 111.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -96.54 -60.9 1.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.721 0.408 . . . . 1.73 111.415 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.72 145.69 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 122.855 0.462 . . . . 1.06 110.94 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -147.29 50.34 1.09 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.985 0.735 . . . . 2.26 112.985 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -172.34 120.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.63 0.372 . . . . 1.74 111.527 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.009 0.433 . . . . 1.71 110.659 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 CA--C 1.552 1.051 0 N-CA-C 111.953 0.353 . . . . 1.75 111.953 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.36 140.06 43.0 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 123.011 0.524 . . . . 0.78 110.946 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -79.31 133.31 36.62 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 111.44 0.163 . . . . 0.69 111.44 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -136.77 147.24 58.55 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 122.94 0.496 . . . . 1.1 111.632 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 142.05 70.69 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.729 2.286 . . . . 0.83 113.171 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -141.44 -51.49 0.43 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 111.879 0.326 . . . . 1.24 111.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -146.98 164.32 33.35 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.255 0.622 . . . . 1.06 109.964 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -51.69 -43.29 62.7 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.689 0.625 . . . . 1.51 112.689 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.53 -38.35 26.37 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.578 0.172 . . . . 0.65 111.278 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.08 -29.38 69.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.216 0.206 . . . . 0.95 110.671 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.33 -29.27 42.25 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.138 0.575 . . . . 0.85 110.695 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -57.25 -49.98 74.32 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.452 0.301 . . . . 0.56 111.526 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.486 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -76.4 -27.47 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 116.678 -0.237 . . . . 0.53 111.435 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.638 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 1.5 tm-20 -71.61 -36.86 70.94 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.956 0.503 . . . . 1.0 111.63 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -60.38 -33.43 72.45 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.626 0.37 . . . . 0.88 111.707 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -69.77 -29.86 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.306 0.242 . . . . 0.56 110.394 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.8 -49.81 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 122.794 0.437 . . . . 0.97 110.876 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -70.3 -43.08 71.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.784 1.031 . . . . 0.67 113.784 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -61.6 -31.28 71.34 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.026 0.75 . . . . 0.69 113.026 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -103.93 -13.93 16.17 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.507 0.928 . . . . 1.02 113.507 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . 0.47 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.4 OUTLIER -62.2 -24.65 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 118.934 0.788 . . . . 3.08 112.887 -179.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -55.65 -39.82 71.38 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.699 0.399 . . . . 1.37 111.669 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.16 -29.47 12.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.786 0.435 . . . . 1.54 111.581 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' B' ' 21' ' ' PHE . . . -57.28 -30.72 64.94 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.413 0.894 . . . . 0.85 113.413 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -79.34 -9.45 59.59 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 113.329 0.863 . . . . 1.73 113.329 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.73 -51.36 70.08 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.297 0.499 . . . . 1.68 111.842 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -83.17 177.39 8.58 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.341 0.256 . . . . 1.45 110.567 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.75 150.87 21.39 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 119.942 -0.366 . . . . 0.86 113.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 66.35 127.16 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.934 0.894 . . . . 2.62 111.359 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -70.54 -50.71 34.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.155 0.182 . . . . 1.11 111.309 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -87.44 68.3 9.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.837 0.351 . . . . 1.36 111.089 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -160.61 157.57 27.49 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.167 -0.47 . . . . 1.13 111.536 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.21 144.09 43.29 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.066 0.547 . . . . 0.79 109.632 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -85.47 158.97 20.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 121.927 0.091 . . . . 0.69 110.765 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -70.38 -35.07 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 112.491 0.552 . . . . 0.71 112.491 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -87.42 -25.07 23.97 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 111.988 0.366 . . . . 0.83 111.988 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -79.75 -42.83 23.72 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.76 0.652 . . . . 1.61 112.76 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -30.43 71.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 117.872 0.306 . . . . 0.66 110.74 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -69.94 -39.1 76.28 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.953 0.501 . . . . 0.81 110.81 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.86 -35.5 74.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.733 0.413 . . . . 0.69 111.392 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.58 -35.44 79.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.641 0.377 . . . . 0.68 111.253 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.26 -26.41 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 C-N-CA 123.037 0.535 . . . . 0.48 111.385 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -109.17 36.29 2.96 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.709 0.403 . . . . 0.83 111.621 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -159.57 -54.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 111.918 0.34 . . . . 0.98 111.918 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -114.65 -3.07 12.92 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 113.238 0.829 . . . . 0.73 113.238 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 1.7 tp -144.19 50.69 1.31 Allowed Pre-proline 0 CA--C 1.563 1.456 0 CA-C-N 118.538 0.608 . . . . 0.62 111.833 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 74.5 Cg_endo -88.09 -39.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.309 2.006 . . . . 0.48 115.679 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -70.14 -32.14 69.99 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.825 0.676 . . . . 0.81 112.825 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.4 -58.78 5.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.443 0.297 . . . . 0.88 111.603 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -86.48 116.78 24.84 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.321 -0.622 . . . . 0.7 109.321 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.63 -40.32 52.82 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.763 1.023 . . . . 1.23 113.763 -178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -110.23 118.97 37.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 117.821 0.282 . . . . 1.94 110.306 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.9 m -104.38 -31.51 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 112.28 0.474 . . . . 0.6 112.28 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.36 -41.92 11.06 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.795 -0.447 . . . . 0.67 113.196 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -94.17 87.87 5.42 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.963 0.381 . . . . 0.92 111.485 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.14 32.84 5.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.953 0.501 . . . . 1.24 110.644 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.5 -37.83 22.58 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.175 0.19 . . . . 0.73 111.276 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.24 -33.33 75.73 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.514 0.326 . . . . 1.1 111.277 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -84.16 -43.63 14.78 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.866 0.467 . . . . 1.47 111.718 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.5 ttp -55.98 -45.67 78.91 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 112.606 0.595 . . . . 0.81 112.606 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -66.03 -33.36 75.63 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.478 0.311 . . . . 2.39 111.191 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -74.88 -29.6 61.05 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.77 0.428 . . . . 0.63 110.909 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' B' ' 79' ' ' LEU . 54.1 mt -74.63 -63.7 1.19 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.869 0.468 . . . . 0.69 111.275 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.07 85.26 6.33 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.941 0.4 . . . . 1.32 110.47 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.48 -34.55 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 115.835 -0.62 . . . . 0.72 111.96 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.75 -24.98 61.86 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.317 0.488 . . . . 1.38 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 64.91 82.62 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.994 0.918 . . . . 2.02 112.19 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -146.9 15.66 1.21 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.218 -0.901 . . . . 1.3 111.859 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t 76.57 -50.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.233 1.013 . . . . 1.35 112.568 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -78.0 127.6 32.59 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.801 0.44 . . . . 2.4 111.088 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -92.07 88.44 6.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.337 0.255 . . . . 1.13 110.371 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -61.32 159.32 12.62 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.913 0.485 . . . . 1.81 110.474 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.11 -27.62 68.87 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.493 0.588 . . . . 1.23 111.727 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -69.92 -20.3 63.36 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 110.099 -0.334 . . . . 0.99 110.099 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -102.78 -26.8 13.02 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.023 0.929 . . . . 0.93 111.346 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.641 ' HA ' HD22 ' B' ' 63' ' ' LEU . 74.6 t80 -83.1 -5.88 59.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.124 0.787 . . . . 0.71 113.124 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -15.96 60.07 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.878 0.763 . . . . 1.54 112.641 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.613 ' HB2' HD23 ' B' ' 63' ' ' LEU . 14.0 mmm-85 -65.8 -32.83 74.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.589 0.356 . . . . 2.15 110.866 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.705 ' HB2' HD21 ' B' ' 63' ' ' LEU . 6.1 tp -83.6 -35.43 24.68 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 119.481 -0.295 . . . . 0.49 110.976 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.2 mm -55.27 -35.47 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 109.89 -0.411 . . . . 0.56 109.89 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.56 -35.9 39.85 Favored Glycine 0 C--N 1.355 1.603 0 N-CA-C 111.803 -0.519 . . . . 0.42 111.803 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.96 -33.54 75.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.929 0.492 . . . . 0.91 110.685 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.36 -50.6 64.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.037 0.535 . . . . 0.69 110.213 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.94 66.39 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.462 0.542 . . . . 0.55 112.462 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 -37.09 20.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.771 0.429 . . . . 1.1 111.815 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.3 -2.47 49.17 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.71 1.004 . . . . 1.68 113.71 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.417 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -76.87 -41.47 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.48 0.582 . . . . 0.63 110.754 178.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -36.41 7.61 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.229 0.455 . . . . 1.64 112.229 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -129.71 76.71 1.74 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -95.32 -40.3 9.6 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.397 -0.594 . . . . 2.03 109.397 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -134.7 52.32 2.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.95 0.9 . . . . 1.36 108.654 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.6 -35.82 14.37 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.193 1.182 . . . . 1.72 114.193 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -73.97 -42.5 60.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.603 0.223 . . . . 1.27 111.603 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -75.69 -52.07 11.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.515 0.326 . . . . 1.61 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.7 pt -133.17 134.23 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.181 0.592 . . . . 1.04 110.728 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -135.8 43.15 2.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.569 0.348 . . . . 2.42 111.425 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.75 87.71 0.68 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.106 0.479 . . . . 1.86 111.783 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.1 tttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.172 -0.918 . . . . 1.85 110.325 179.186 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 113.143 0.794 . . . . 2.71 113.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.72 154.09 32.27 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 122.854 0.462 . . . . 1.02 111.391 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.28 27.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.315 -0.402 . . . . 0.7 111.213 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.77 142.45 25.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 123.017 0.527 . . . . 1.02 110.631 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.24 131.31 35.86 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.797 2.332 . . . . 0.74 113.69 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.0 mt -126.22 -157.8 0.82 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.185 0.594 . . . . 1.19 109.911 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -56.33 161.82 2.37 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.044 0.538 . . . . 0.98 111.539 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -48.19 -45.02 33.23 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 113.422 0.897 . . . . 1.42 113.422 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.9 -37.15 56.0 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 111.525 0.194 . . . . 0.65 111.525 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.18 -25.5 62.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.233 0.213 . . . . 1.03 110.731 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -83.99 -22.04 31.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.026 0.53 . . . . 0.81 111.524 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.8 m -56.84 -47.01 81.32 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 117.773 0.26 . . . . 0.63 110.796 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 14' ' ' GLU . 2.8 pp -76.33 -26.27 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.235 0.214 . . . . 0.56 111.041 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' HD12 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -70.03 -36.01 74.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.4 0.68 . . . . 1.0 112.123 179.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -55.84 -39.73 71.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.83 0.452 . . . . 0.77 112.201 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.93 -30.49 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.647 -0.131 . . . . 0.5 110.647 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.65 -6.32 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 122.995 0.518 . . . . 0.95 111.594 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -111.62 -22.05 11.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.157 0.799 . . . . 0.62 113.157 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -91.19 -57.79 2.67 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.86 0.689 . . . . 0.66 112.86 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -83.42 -12.09 56.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.534 0.938 . . . . 0.95 113.534 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.57 -18.8 64.41 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 118.522 0.601 . . . . 3.17 112.564 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -67.73 -32.34 72.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.665 0.386 . . . . 1.37 110.537 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -98.92 -33.16 10.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.169 0.588 . . . . 1.55 111.514 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.11 72.97 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.038 0.755 . . . . 0.83 113.038 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -73.08 -17.5 61.41 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.971 0.73 . . . . 1.55 112.971 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -56.35 -37.84 70.56 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.264 0.626 . . . . 1.8 112.104 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -131.7 129.66 40.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.767 0.427 . . . . 1.59 111.441 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.95 95.37 0.04 OUTLIER Glycine 0 C--N 1.355 1.639 0 CA-C-O 119.741 -0.477 . . . . 0.92 114.169 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.94 -178.11 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.492 0.717 . . . . 2.6 112.419 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -99.18 -33.07 10.91 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.948 0.499 . . . . 1.22 111.549 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.87 44.3 1.23 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.553 0.341 . . . . 1.43 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.9 t -147.56 139.67 24.32 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.826 0.306 . . . . 1.09 111.826 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -85.49 156.32 20.84 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.023 0.529 . . . . 0.76 110.343 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -93.95 156.01 16.84 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.348 0.259 . . . . 0.68 110.464 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.92 -24.18 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 112.427 0.528 . . . . 0.64 112.427 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -98.67 -26.92 14.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.959 0.355 . . . . 0.82 111.959 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -40.28 42.03 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.04 0.385 . . . . 1.54 112.04 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -34.67 76.83 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.88 0.309 . . . . 0.65 111.12 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -66.45 -38.09 86.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.873 0.469 . . . . 0.87 111.633 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.56 -31.06 70.87 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.292 0.37 . . . . 0.73 111.542 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 tp -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 0.65 111.39 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -73.85 -27.91 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 122.818 0.447 . . . . 0.45 110.917 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -104.34 33.22 3.61 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.537 0.335 . . . . 0.8 111.859 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.35 -61.88 0.07 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.327 0.492 . . . . 1.1 112.327 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -102.1 -5.52 24.39 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.252 0.834 . . . . 0.84 113.252 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -141.9 51.85 2.33 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 122.609 0.364 . . . . 0.67 111.41 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 88.2 Cg_endo -87.09 -40.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.128 1.886 . . . . 0.52 115.104 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -68.46 -31.29 70.48 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.663 0.616 . . . . 0.85 112.663 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 tp -65.62 -63.02 1.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 119.64 -0.219 . . . . 0.87 110.732 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.96 97.07 10.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.032 -0.729 . . . . 0.73 109.032 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -50.02 -33.79 19.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 113.307 0.855 . . . . 1.32 113.307 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.66 88.2 5.76 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.884 -0.413 . . . . 2.08 109.884 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.88 -27.34 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.28 0.474 . . . . 0.71 112.28 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.52 7.44 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-O 119.677 -0.513 . . . . 0.83 114.334 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.46 58.6 1.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.393 0.516 . . . . 0.85 112.393 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 63.47 4.48 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.149 0.5 . . . . 1.22 109.73 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.82 -38.62 4.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.848 -0.615 . . . . 0.77 111.506 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.77 -42.4 97.79 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.21 -0.292 . . . . 1.09 110.21 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.14 -42.15 76.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.905 -0.406 . . . . 1.55 109.905 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttp -56.16 -44.09 78.97 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.296 0.638 . . . . 0.84 111.566 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -36.0 78.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.736 0.414 . . . . 2.56 111.172 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -71.63 -34.42 69.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.224 0.61 . . . . 0.61 111.85 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.65 -64.33 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.227 0.211 . . . . 0.68 111.061 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.77 75.92 7.69 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.175 0.512 . . . . 1.39 110.128 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.93 -20.7 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 115.567 -0.742 . . . . 0.73 112.212 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -82.9 -25.7 32.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.696 0.399 . . . . 1.44 111.89 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 63.54 62.15 0.96 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.822 0.849 . . . . 1.96 111.515 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.41 15.11 6.09 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.559 -0.746 . . . . 1.41 111.412 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m 59.25 29.83 19.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 1.31 111.681 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -142.34 127.98 19.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.775 0.43 . . . . 2.42 111.008 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp -106.04 74.12 1.03 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.685 0.394 . . . . 0.95 110.326 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.49 162.96 22.08 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.057 -0.72 . . . . 1.89 109.057 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -24.99 33.88 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.402 0.89 . . . . 1.2 113.402 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.09 -33.57 67.98 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.287 0.494 . . . . 0.98 110.366 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.11 -43.6 11.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.216 0.606 . . . . 1.03 110.306 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.18 -20.21 66.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.615 0.766 . . . . 0.69 111.419 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -55.85 -25.36 41.71 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.608 0.763 . . . . 1.62 111.688 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -64.64 -34.09 77.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.395 0.278 . . . . 1.96 110.495 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.23 -32.65 49.9 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 109.826 -0.435 . . . . 0.53 109.826 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.29 -32.11 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.036 0.534 . . . . 0.61 111.121 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.64 84.6 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.293 -0.723 . . . . 0.47 111.293 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -73.84 -24.75 59.82 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.359 0.264 . . . . 0.86 110.396 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.98 -50.09 73.48 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.191 0.596 . . . . 0.67 110.849 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -81.98 -21.34 37.2 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.292 0.478 . . . . 0.55 112.292 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -79.99 -34.67 38.38 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.9 0.48 . . . . 0.96 111.756 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -88.53 13.72 11.4 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.101 0.778 . . . . 1.65 113.101 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -86.07 -46.72 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.547 0.612 . . . . 0.66 110.553 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.13 -38.17 8.25 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 119.255 -0.403 . . . . 1.74 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -116.92 61.42 0.73 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 121.001 0.429 . . . . 1.52 112.088 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -60.81 -34.94 75.29 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.769 -0.456 . . . . 1.87 109.769 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -160.72 69.6 0.37 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 108.156 -1.053 . . . . 1.53 108.156 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.05 -30.62 36.89 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.964 1.098 . . . . 1.81 113.964 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.08 -39.11 89.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 111.852 0.316 . . . . 1.24 111.852 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -89.41 -49.99 6.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.666 0.386 . . . . 1.73 111.081 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.66 125.44 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.082 0.553 . . . . 1.06 110.537 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -128.02 27.48 5.67 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.094 0.776 . . . . 2.26 113.094 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -161.76 97.21 1.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.849 0.357 . . . . 1.74 111.38 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.8 tttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 116.25 -0.432 . . . . 1.71 110.775 179.134 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 111.726 0.269 . . . . 1.75 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 121.57 43.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 122.957 0.503 . . . . 0.78 110.706 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -70.45 114.55 8.67 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.1 0.407 . . . . 0.69 112.1 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.4 138.63 19.78 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-O 119.037 -0.506 . . . . 1.1 110.37 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.23 133.78 60.14 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.937 2.425 . . . . 0.83 113.213 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -132.12 -146.91 0.3 Allowed 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 119.034 -0.507 . . . . 1.24 110.273 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -60.54 160.32 9.17 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.977 0.808 . . . . 1.06 111.299 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.34 -40.68 12.22 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.82 1.044 . . . . 1.51 113.82 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -77.3 -45.65 25.56 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.004 0.365 . . . . 0.65 111.445 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.75 -31.62 72.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.768 0.427 . . . . 0.95 111.085 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -73.5 -25.22 60.35 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.373 0.669 . . . . 0.85 111.391 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -60.2 -55.67 30.97 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.74 0.416 . . . . 0.56 111.021 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -71.08 -25.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 123.181 0.301 . . . . 0.53 111.285 178.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.473 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 8.4 tm-20 -67.41 -35.0 78.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.553 0.741 . . . . 1.0 111.397 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 59.7 m -62.41 -33.91 75.7 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.75 0.42 . . . . 0.88 111.669 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.28 -26.39 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.637 0.375 . . . . 0.56 111.48 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.27 12.03 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 122.743 0.417 . . . . 0.97 111.659 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -126.06 -45.45 1.71 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.168 0.587 . . . . 0.67 111.66 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -65.51 -43.51 89.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.645 0.378 . . . . 0.69 111.945 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.13 41.32 2.13 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.848 0.356 . . . . 1.02 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -97.14 -32.44 11.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.702 0.401 . . . . 3.08 111.07 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.1 m -66.41 -37.29 84.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.981 0.513 . . . . 1.37 111.811 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -82.52 -29.04 30.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 111.921 0.341 . . . . 1.54 111.921 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.64 77.46 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.345 0.498 . . . . 0.85 112.345 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -73.92 -22.13 59.8 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.805 1.039 . . . . 1.73 113.805 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -63.96 -27.5 69.18 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.38 0.881 . . . . 1.68 113.38 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -131.68 99.78 4.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.112 0.415 . . . . 1.45 111.766 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 109.85 0.2 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 114.373 0.509 . . . . 0.86 114.373 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.49 -176.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.706 1.002 . . . . 2.62 113.706 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -97.8 -52.91 3.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.992 0.517 . . . . 1.11 111.801 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.7 44.7 1.11 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.901 0.334 . . . . 1.36 111.901 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 91.1 p -147.38 127.36 13.63 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.407 0.283 . . . . 1.13 110.977 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -82.07 166.78 19.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.06 -0.518 . . . . 0.79 111.256 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -97.44 162.33 13.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.08 -0.341 . . . . 0.69 110.08 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.07 -25.95 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 112.484 0.55 . . . . 0.71 112.484 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -98.55 -27.95 13.8 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.46 0.541 . . . . 0.83 112.46 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.34 -30.31 53.84 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.685 0.624 . . . . 1.61 112.685 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -70.64 -36.78 73.61 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.283 0.492 . . . . 0.66 110.422 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -66.44 -35.43 80.27 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 122.67 0.388 . . . . 0.81 110.938 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.3 -33.78 76.51 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.243 -0.28 . . . . 0.69 110.243 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.37 -38.6 78.11 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 122.828 0.451 . . . . 0.68 110.349 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.38 -29.05 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.674 0.39 . . . . 0.48 111.47 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -102.47 25.49 8.97 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.274 0.472 . . . . 0.83 112.274 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -148.82 -58.13 0.22 Allowed 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.862 -0.524 . . . . 0.98 112.182 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -105.91 -15.49 14.9 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.281 0.845 . . . . 0.73 113.281 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 49.38 4.69 Favored Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 112.295 0.48 . . . . 0.62 112.295 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -85.94 -34.22 0.17 Allowed 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.582 2.188 . . . . 0.48 114.903 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -72.95 -31.49 64.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.599 0.592 . . . . 0.81 112.599 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.13 -56.27 8.17 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.028 0.131 . . . . 0.88 110.813 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -85.53 107.61 17.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.242 -0.651 . . . . 0.7 109.242 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -51.86 -34.92 42.9 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.007 1.114 . . . . 1.23 114.007 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -103.09 94.11 5.36 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.31 0.244 . . . . 1.94 111.543 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.82 -35.6 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 116.763 -0.199 . . . . 0.6 110.748 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.71 -45.09 5.58 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.391 0.432 . . . . 0.67 112.592 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -84.44 75.45 10.25 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 121.072 0.463 . . . . 0.92 110.594 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.39 -5.28 19.11 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.631 -0.713 . . . . 1.24 111.782 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.66 -31.86 73.1 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.905 0.705 . . . . 0.73 112.905 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.75 -37.46 86.42 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.483 0.313 . . . . 1.1 110.819 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -84.97 -47.09 10.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.525 0.33 . . . . 1.47 110.988 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -46.65 -47.07 20.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.404 0.89 . . . . 0.81 113.404 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -61.88 -35.6 78.79 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.724 0.238 . . . . 2.39 111.562 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.3 m -72.55 -28.12 62.64 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.064 0.228 . . . . 0.63 111.544 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.6 -57.86 3.81 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 110.16 -0.311 . . . . 0.69 110.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.19 84.6 7.42 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.402 0.438 . . . . 1.32 110.027 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -91.77 -28.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 115.592 -0.731 . . . . 0.72 112.099 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.74 -31.4 66.63 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.544 0.338 . . . . 1.38 111.3 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 66.9 75.1 0.32 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.909 0.884 . . . . 2.02 112.212 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -154.42 24.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.988 -0.551 . . . . 1.3 111.397 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t 54.49 38.89 30.54 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.444 0.698 . . . . 1.35 112.45 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -141.41 118.79 11.48 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.387 -0.37 . . . . 2.4 110.432 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.06 71.81 1.64 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.137 0.494 . . . . 1.13 110.292 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -66.46 158.54 29.25 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.799 -0.637 . . . . 1.81 109.594 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -51.42 -26.46 8.03 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.266 0.839 . . . . 1.23 113.266 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -75.81 -35.14 60.13 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 117.824 0.284 . . . . 0.99 110.347 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.96 -38.58 20.82 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.166 0.586 . . . . 0.93 110.432 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -73.88 -15.17 61.16 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.51 0.724 . . . . 0.71 110.933 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -53.68 -31.36 47.54 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.342 1.057 . . . . 1.54 112.848 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -65.48 -35.47 81.0 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.969 0.35 . . . . 2.15 111.408 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.42 -33.42 54.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 119.382 -0.342 . . . . 0.49 111.094 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.45 -36.29 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 110.25 -0.278 . . . . 0.56 110.25 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.99 71.8 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.98 -0.448 . . . . 0.42 111.98 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.34 -30.86 69.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.64 0.376 . . . . 0.91 110.524 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.59 -41.85 98.31 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.17 0.294 . . . . 0.69 110.363 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.84 52.23 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.089 0.774 . . . . 0.55 113.089 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -25.93 48.74 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.451 0.538 . . . . 1.1 112.451 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -96.57 13.33 28.51 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.433 0.901 . . . . 1.68 113.433 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.462 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.1 OUTLIER -86.17 -46.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 118.798 0.727 . . . . 0.63 111.117 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.99 -31.7 10.99 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 112.153 0.427 . . . . 1.64 112.153 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -127.34 61.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.544 0.572 . . . . 1.65 112.544 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -40.39 79.22 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 110.207 -0.294 . . . . 2.03 110.207 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -138.25 66.81 1.43 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 109.054 -0.721 . . . . 1.36 109.054 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.96 -31.07 49.44 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.488 1.292 . . . . 1.72 114.488 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 tp -77.9 -36.14 49.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.685 0.624 . . . . 1.27 112.685 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -88.61 -56.96 3.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.557 0.343 . . . . 1.61 111.215 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.02 131.14 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.207 0.603 . . . . 1.04 110.785 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -147.12 51.41 1.08 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.867 0.691 . . . . 2.42 112.867 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.27 34.24 0.28 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.244 0.461 . . . . 1.86 112.244 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.4 tttp . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.178 -0.915 . . . . 1.85 111.262 -179.408 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 112.331 0.493 . . . . 2.71 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.38 155.64 20.99 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.009 0.524 . . . . 1.02 111.492 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 135.63 37.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.267 -0.424 . . . . 0.7 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -124.03 142.04 38.66 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 122.851 0.461 . . . . 1.02 111.009 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.17 132.25 33.37 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.748 2.298 . . . . 0.74 113.15 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 mt -130.25 -135.19 0.21 Allowed 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.283 0.633 . . . . 1.19 109.505 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -62.68 164.52 7.61 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.102 0.865 . . . . 0.98 111.365 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.61 -41.5 63.73 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.026 0.75 . . . . 1.42 113.026 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.94 -38.72 64.17 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.725 0.239 . . . . 0.65 110.887 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 -29.73 64.63 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.05 0.54 . . . . 1.03 111.525 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -78.43 -21.61 48.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.824 0.449 . . . . 0.81 111.639 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -59.68 -55.58 32.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.824 0.449 . . . . 0.63 111.314 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.6 pp -75.08 -20.96 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 111.878 0.325 . . . . 0.56 111.878 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 13' ' ' ILE . 5.9 tm-20 -68.47 -31.58 70.97 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.072 0.549 . . . . 1.0 111.385 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -59.76 -39.34 84.48 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.902 0.481 . . . . 0.77 112.068 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.17 -26.89 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.201 0.2 . . . . 0.5 111.267 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.16 -13.51 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 112.427 0.529 . . . . 0.95 112.427 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.9 p -112.78 -12.15 13.39 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.265 0.839 . . . . 0.62 113.265 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -97.39 -59.78 1.71 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.357 0.526 . . . . 0.66 112.26 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' HD13 ' A' ' 41' ' ' LEU . 61.3 t80 -85.48 -36.39 20.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.997 0.74 . . . . 0.95 112.997 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -58.64 -23.02 58.28 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.874 0.694 . . . . 3.17 112.874 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -63.0 -31.39 72.51 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.591 0.356 . . . . 1.37 111.072 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.37 -31.89 12.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.105 0.562 . . . . 1.55 111.727 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 0.59 35.17 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.151 1.167 . . . . 0.83 114.151 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -82.5 -13.85 55.98 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 113.154 0.798 . . . . 1.55 113.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -73.48 -41.22 63.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.326 0.862 . . . . 1.8 113.326 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -99.06 111.26 23.7 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.589 0.589 . . . . 1.59 112.589 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.71 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.849 1.1 . . . . 0.92 115.849 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 61.82 156.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.618 0.97 . . . . 2.6 113.618 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.17 -34.04 22.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.871 0.468 . . . . 1.22 111.355 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -101.42 50.13 0.86 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.831 0.452 . . . . 1.43 110.265 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 t -155.77 141.05 17.58 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.278 -0.419 . . . . 1.09 111.536 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.32 149.27 21.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.388 0.675 . . . . 0.76 110.289 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -88.04 151.45 22.74 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.503 0.186 . . . . 0.68 111.503 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.4 -29.54 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 112.942 0.719 . . . . 0.64 112.942 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -96.29 -33.04 12.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.052 0.389 . . . . 0.82 112.052 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.24 -41.67 69.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.174 0.435 . . . . 1.54 112.174 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -34.83 79.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.737 0.244 . . . . 0.65 110.962 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -64.73 -41.96 95.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.02 0.528 . . . . 0.87 111.047 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.2 -27.98 64.93 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.215 0.322 . . . . 0.73 111.65 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 20' ' ' PHE . 24.3 tp -67.79 -37.39 81.97 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.666 0.386 . . . . 0.65 111.271 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.02 -26.79 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.55 0.34 . . . . 0.45 111.707 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -104.65 21.99 15.86 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.416 0.524 . . . . 0.8 112.416 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -139.81 -62.42 0.52 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.307 0.503 . . . . 1.1 111.766 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -106.17 1.16 25.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.851 0.686 . . . . 0.84 112.851 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.84 45.04 0.64 Allowed Pre-proline 0 CA--C 1.562 1.415 0 N-CA-C 112.02 0.378 . . . . 0.67 112.02 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.22 -36.22 0.3 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.065 1.843 . . . . 0.52 114.377 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -72.23 -35.34 68.82 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.645 0.378 . . . . 0.85 111.949 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.46 -57.25 9.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.551 0.34 . . . . 0.87 110.747 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -102.4 95.85 6.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.589 -0.893 . . . . 0.73 108.589 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -56.49 -28.83 60.82 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.131 0.789 . . . . 1.32 113.131 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -84.61 85.68 7.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.392 0.277 . . . . 2.08 111.303 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.0 -37.35 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.186 -0.461 . . . . 0.71 110.376 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.09 -30.19 23.52 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 112.029 -0.429 . . . . 0.83 112.029 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -95.81 50.94 1.23 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.033 0.533 . . . . 0.85 110.32 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -88.74 -21.16 23.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.974 0.51 . . . . 1.22 111.102 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -53.1 -34.09 55.1 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.886 0.698 . . . . 0.77 112.886 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.04 -40.46 96.35 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.162 0.185 . . . . 1.09 110.888 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -77.59 -40.71 41.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.837 0.455 . . . . 1.55 111.097 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -57.53 -38.85 75.36 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 0.84 111.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -61.99 -35.31 78.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.574 0.35 . . . . 2.56 111.762 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -75.2 -29.73 60.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.747 0.419 . . . . 0.61 111.839 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.61 HD22 ' HA ' ' A' ' 76' ' ' TYR . 47.7 mt -73.51 -53.47 10.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.387 0.275 . . . . 0.68 111.086 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.45 78.6 4.91 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.957 0.408 . . . . 1.39 111.137 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.56 -36.91 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 115.884 -0.598 . . . . 0.73 110.796 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.12 -29.8 64.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.992 0.517 . . . . 1.44 110.977 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.34 71.54 0.53 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.307 1.043 . . . . 1.96 111.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -142.83 15.77 1.95 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.747 -0.66 . . . . 1.41 111.77 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t 60.33 28.18 17.78 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.643 0.777 . . . . 1.31 112.286 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -140.56 131.52 26.12 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.952 0.501 . . . . 2.42 110.186 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mp -108.63 86.51 2.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.546 0.202 . . . . 0.95 111.546 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -69.66 172.69 7.07 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.012 -0.736 . . . . 1.89 109.012 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' B' ' 84' ' ' ALA . 1.0 OUTLIER -69.7 -24.86 63.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.451 0.568 . . . . 1.2 111.773 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -71.77 -29.41 64.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 109.561 -0.533 . . . . 0.98 109.561 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -89.32 -42.04 11.8 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.708 0.803 . . . . 1.03 110.415 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.61 ' HA ' HD22 ' A' ' 63' ' ' LEU . 51.6 t80 -72.19 -11.4 60.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.528 0.731 . . . . 0.69 111.954 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -26.47 13.74 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.846 0.859 . . . . 1.62 113.082 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HB2' HD23 ' A' ' 63' ' ' LEU . 51.3 mmm-85 -68.17 -38.61 82.25 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.077 0.399 . . . . 1.96 111.497 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' A' ' 63' ' ' LEU . 11.9 tp -80.83 -23.24 39.31 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 119.801 -0.142 . . . . 0.53 110.838 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.0 mm -67.1 -37.54 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.663 -0.495 . . . . 0.61 109.663 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.05 -39.29 73.73 Favored Glycine 0 C--N 1.354 1.553 0 N-CA-C 111.408 -0.677 . . . . 0.47 111.408 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.71 -16.26 61.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.575 0.35 . . . . 0.86 110.963 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.91 -52.1 58.26 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.263 0.625 . . . . 0.67 110.66 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.636 ' HB2' ' HB ' ' B' ' 13' ' ' ILE . . . -88.53 -8.63 54.47 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.358 0.503 . . . . 0.55 112.358 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.63 -37.26 19.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.413 0.285 . . . . 0.96 110.455 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -86.01 12.01 10.36 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.266 0.839 . . . . 1.65 113.266 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -101.51 -39.69 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 118.299 0.5 . . . . 0.66 109.904 178.383 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -101.42 -36.14 8.95 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.759 0.424 . . . . 1.74 111.781 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -130.98 75.25 1.65 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.09 0.471 . . . . 1.52 111.885 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -98.31 -53.41 3.36 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.041 -0.527 . . . . 1.87 110.049 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -113.72 51.75 0.84 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.287 -0.634 . . . . 1.53 109.287 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.11 73.94 1.74 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.441 0.639 . . . . 1.81 112.182 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -165.44 -50.99 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.525 -0.761 . . . . 1.24 110.287 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -100.7 -51.11 3.67 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.184 0.594 . . . . 1.73 110.543 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.3 pt -120.49 116.42 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.354 0.409 . . . . 1.06 110.81 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -135.71 63.64 1.59 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.898 0.38 . . . . 2.26 111.639 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -165.86 86.68 0.36 Allowed 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 116.148 -0.478 . . . . 1.74 111.804 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 115.967 -0.56 . . . . 1.71 110.274 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.05 0.389 . . . . 1.75 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 152.47 19.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.36 0.264 . . . . 0.78 111.485 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.56 121.0 27.64 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.177 -0.465 . . . . 0.69 111.981 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -105.13 141.13 21.93 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-O 119.071 -0.49 . . . . 1.1 110.332 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 140.9 94.73 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.078 2.519 . . . . 0.83 114.657 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.1 mt -136.23 -160.26 1.04 Allowed 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.427 0.691 . . . . 1.24 110.215 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -58.78 161.07 5.09 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 118.802 0.728 . . . . 1.06 111.384 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.42 -49.34 7.15 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.566 0.95 . . . . 1.51 113.566 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.56 -40.09 73.56 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 117.921 0.328 . . . . 0.65 111.449 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.94 -24.73 62.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.779 0.432 . . . . 0.95 111.532 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -87.18 -10.09 53.55 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.001 0.52 . . . . 0.85 112.387 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -60.51 -47.57 85.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.949 0.34 . . . . 0.56 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 84' ' ' ALA . 2.4 pp -85.21 -21.88 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 122.33 0.252 . . . . 0.53 111.202 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.564 ' N ' HD12 ' B' ' 13' ' ' ILE . 9.9 tm-20 -65.44 -40.04 92.8 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.232 0.613 . . . . 1.0 110.418 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -66.51 -31.67 72.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.723 0.409 . . . . 0.88 111.621 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.57 -36.29 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.359 0.264 . . . . 0.56 110.474 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -71.73 -50.75 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 122.407 0.283 . . . . 0.97 110.693 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.3 p -58.07 -37.24 74.06 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.18 1.178 . . . . 0.67 114.18 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -72.94 -31.93 64.93 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.558 0.948 . . . . 0.69 113.558 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -115.37 -3.7 12.42 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.59 1.33 . . . . 1.02 114.59 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -66.06 -36.15 82.44 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.774 1.17 . . . . 3.08 111.838 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -63.96 -35.28 80.17 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.297 0.239 . . . . 1.37 111.01 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -85.9 -25.34 26.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.79 0.436 . . . . 1.54 110.893 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.43 -20.7 62.08 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.969 0.508 . . . . 0.85 112.239 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -91.92 25.34 2.83 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.151 0.426 . . . . 1.73 112.151 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -87.07 -35.04 18.94 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.719 0.407 . . . . 1.68 110.844 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.92 -159.52 0.68 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.196 0.599 . . . . 1.45 110.35 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 145.39 46.25 Favored Glycine 0 C--N 1.358 1.776 0 CA-C-N 118.284 0.493 . . . . 0.86 114.223 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? 60.7 126.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.394 1.078 . . . . 2.62 112.534 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.34 -42.26 68.75 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.328 -0.397 . . . . 1.11 111.088 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.66 53.01 2.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.788 -0.449 . . . . 1.36 109.788 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -156.6 143.15 18.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 116.49 -0.323 . . . . 1.13 111.575 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.63 169.22 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.527 0.517 . . . . 0.79 110.387 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -105.61 159.84 15.65 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.573 0.349 . . . . 0.69 111.009 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.72 -25.51 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 N-CA-C 112.103 0.408 . . . . 0.71 112.103 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.97 -35.27 11.48 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.091 0.404 . . . . 0.83 112.091 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.83 -41.43 64.87 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.486 0.55 . . . . 1.61 112.486 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -33.12 74.88 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.928 0.331 . . . . 0.66 111.259 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -68.63 -36.79 79.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.77 0.428 . . . . 0.81 110.628 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.06 -30.77 55.71 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.667 0.387 . . . . 0.69 111.67 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.87 -34.92 79.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.668 0.387 . . . . 0.68 110.988 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.44 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 76.1 t -77.2 -25.32 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 122.914 0.485 . . . . 0.48 111.431 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 -6.72 55.28 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 113.308 0.855 . . . . 0.83 113.308 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -127.62 -51.46 1.37 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.99 0.737 . . . . 0.98 112.99 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -102.39 -8.35 21.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.146 1.165 . . . . 0.73 114.146 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.6 OUTLIER -142.29 48.32 1.07 Allowed Pre-proline 0 CA--C 1.562 1.424 0 CA-C-N 118.877 0.762 . . . . 0.62 111.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -84.53 -29.62 0.77 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.109 1.873 . . . . 0.48 114.905 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -75.22 -21.01 58.95 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.871 0.693 . . . . 0.81 112.871 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.49 -52.53 9.62 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.692 0.223 . . . . 0.88 111.052 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.6 107.45 19.9 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.916 -0.772 . . . . 0.7 108.916 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.71 66.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.332 0.864 . . . . 1.23 113.332 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -95.46 83.94 3.9 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.926 -0.398 . . . . 1.94 109.926 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -71.33 -28.92 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.177 -0.465 . . . . 0.6 112.038 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.69 -40.06 7.37 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.47 -0.628 . . . . 0.67 113.498 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -87.69 83.37 7.19 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.815 0.808 . . . . 0.92 111.215 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.1 7.51 19.69 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.612 -0.722 . . . . 1.24 110.802 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.48 -28.95 65.39 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.613 0.597 . . . . 0.73 112.613 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.21 -41.46 81.28 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.227 0.211 . . . . 1.1 111.27 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.1 -41.73 27.97 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.563 0.345 . . . . 1.47 110.945 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.1 ttp -51.88 -35.84 46.56 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.92 0.711 . . . . 0.81 112.92 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -67.57 -44.98 76.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.481 0.178 . . . . 2.39 111.481 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -72.27 -34.18 68.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.46 0.304 . . . . 0.63 111.76 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.455 ' HB3' HD23 ' B' ' 71' ' ' LEU . 28.2 mt -68.52 -55.94 10.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.176 0.191 . . . . 0.69 110.712 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.39 57.64 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.094 0.473 . . . . 1.32 110.202 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -80.65 -29.04 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 116.097 -0.502 . . . . 0.72 111.822 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -68.29 -25.08 64.96 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.026 0.53 . . . . 1.38 111.184 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 64.53 87.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.354 1.062 . . . . 2.02 112.404 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.2 35.31 0.2 Allowed 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.943 -0.571 . . . . 1.3 111.342 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m 63.21 -74.55 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.297 1.039 . . . . 1.35 113.343 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.03 142.2 45.75 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.114 0.415 . . . . 2.4 112.014 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' B' ' 63' ' ' LEU . 7.1 mp -99.94 99.68 10.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.054 -0.521 . . . . 1.13 110.766 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -67.01 175.92 2.33 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.74 -0.647 . . . . 1.81 109.295 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 84' ' ' ALA . 5.2 t80 -65.35 -25.0 67.39 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.717 1.144 . . . . 1.23 111.83 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.49 -34.88 72.86 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.256 -0.646 . . . . 0.99 109.256 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.03 -39.85 22.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 0.93 109.602 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.429 ' CE2' HD11 ' B' ' 80' ' ' ILE . 45.5 t80 -88.66 62.17 6.37 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.811 -1.181 . . . . 0.71 107.811 177.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -113.46 -46.37 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.365 1.066 . . . . 1.54 110.931 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -63.47 -29.37 70.66 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.98 0.733 . . . . 2.15 112.98 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -78.68 -28.72 45.3 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.012 0.369 . . . . 0.49 111.099 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.429 HD11 ' CE2' ' B' ' 76' ' ' TYR . 37.4 mm -68.72 -37.46 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.783 -0.821 . . . . 0.56 108.783 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.13 -42.01 78.17 Favored Glycine 0 C--N 1.357 1.735 0 N-CA-C 111.032 -0.827 . . . . 0.42 111.032 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.29 -26.89 64.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.89 0.476 . . . . 0.91 110.634 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.58 -51.29 70.07 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.17 0.588 . . . . 0.69 110.95 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -86.59 -15.59 39.36 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.559 0.577 . . . . 0.55 112.559 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -79.82 -44.12 21.14 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.124 0.42 . . . . 1.1 110.79 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.65 -26.38 61.63 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.207 0.447 . . . . 1.68 112.207 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -37.94 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 122.787 0.435 . . . . 0.63 111.954 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -107.68 -40.8 5.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.433 0.531 . . . . 1.64 112.433 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -124.81 69.86 1.12 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.473 0.545 . . . . 1.65 112.473 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -82.75 -41.28 19.42 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.193 -0.458 . . . . 2.03 110.505 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -139.05 63.41 1.51 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.962 -0.755 . . . . 1.36 108.962 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.76 76.41 3.39 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.229 -0.896 . . . . 1.72 113.235 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 tp -159.9 -53.07 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.695 -0.684 . . . . 1.27 110.088 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -92.91 -44.34 8.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.135 0.574 . . . . 1.61 110.095 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 pt -126.35 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.953 0.501 . . . . 1.04 110.929 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -162.57 57.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.581 0.353 . . . . 2.42 111.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -163.02 52.04 0.17 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.144 0.424 . . . . 1.86 112.144 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 40.0 tttp . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.228 -0.892 . . . . 1.85 110.245 179.322 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptt? . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.503 0.668 . . . . 2.71 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.52 135.21 18.61 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.234 -0.893 . . . . 1.02 110.174 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 108.51 19.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.071 0.148 . . . . 0.7 110.906 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.45 139.71 21.38 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 122.817 0.447 . . . . 1.02 110.892 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 134.52 46.22 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.636 2.224 . . . . 0.74 113.276 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.7 mt -134.34 -137.32 0.17 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 118.826 -0.607 . . . . 1.19 109.761 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 167.95 2.7 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 119.277 0.944 . . . . 0.98 111.392 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.48 -44.3 68.89 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.066 0.765 . . . . 1.42 113.066 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -76.34 -36.0 58.47 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.632 0.197 . . . . 0.65 111.292 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -73.77 -30.15 62.61 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.617 0.367 . . . . 1.03 111.0 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.88 -29.21 58.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.884 0.474 . . . . 0.81 110.491 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -62.47 -50.01 73.14 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 122.548 0.339 . . . . 0.63 110.531 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -72.59 -16.69 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 112.037 0.384 . . . . 0.56 112.037 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -80.95 -42.27 21.54 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.336 0.654 . . . . 1.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -59.57 -35.5 74.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.932 0.493 . . . . 0.77 112.082 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.07 -30.13 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 110.148 -0.316 . . . . 0.5 110.148 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -78.31 -64.69 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 122.807 0.443 . . . . 0.95 111.209 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -54.17 -35.76 62.65 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 115.144 1.535 . . . . 0.62 115.144 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -67.33 -42.37 83.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 113.688 0.996 . . . . 0.66 113.688 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -106.81 -19.59 13.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.21 1.189 . . . . 0.95 114.21 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.64 -20.5 65.34 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.296 0.953 . . . . 3.17 112.556 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.7 m -64.75 -35.15 80.15 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 118.181 0.446 . . . . 1.37 110.972 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -99.08 -24.66 14.81 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.173 0.589 . . . . 1.55 112.047 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.71 -23.48 42.32 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 113.147 0.795 . . . . 0.83 113.147 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.74 -17.5 64.06 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.55 0.944 . . . . 1.55 113.55 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -28.21 66.65 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.35 0.87 . . . . 1.8 113.35 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -118.74 127.18 53.31 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.751 0.649 . . . . 1.59 112.751 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.22 95.59 0.01 OUTLIER Glycine 0 C--N 1.357 1.75 0 N-CA-C 114.704 0.642 . . . . 0.92 114.704 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 60.62 169.77 0.09 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.44 0.696 . . . . 2.6 111.875 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -83.01 -59.33 2.52 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.496 -0.32 . . . . 1.22 111.428 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.14 67.19 5.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.988 0.423 . . . . 1.43 110.952 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -159.79 131.27 6.06 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.846 -0.616 . . . . 1.09 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.91 156.59 24.7 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.33 -0.248 . . . . 0.76 110.33 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -96.78 151.47 19.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.457 -0.201 . . . . 0.68 110.457 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.62 -27.94 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 112.695 0.628 . . . . 0.64 112.695 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -96.95 -33.93 11.4 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.409 0.522 . . . . 0.82 112.409 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.1 -41.96 73.34 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.188 0.44 . . . . 1.54 112.188 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -32.98 74.64 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.539 0.154 . . . . 0.65 110.938 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.06 -37.91 81.26 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.133 0.573 . . . . 0.87 111.623 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.35 -32.53 66.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.21 0.204 . . . . 0.73 111.303 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.7 -39.92 94.48 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.839 0.455 . . . . 0.65 111.914 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.35 -27.66 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 111.994 0.368 . . . . 0.45 111.994 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -102.27 21.16 15.49 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 112.158 0.429 . . . . 0.8 112.158 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -147.65 -57.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.796 -0.565 . . . . 1.1 112.461 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.18 -12.85 18.43 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.822 0.675 . . . . 0.84 112.822 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.37 48.41 1.91 Allowed Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 118.171 0.441 . . . . 0.67 111.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.91 -29.1 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.066 1.844 . . . . 0.52 114.391 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.57 -20.71 53.62 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.665 0.617 . . . . 0.85 112.665 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -73.74 -56.3 5.16 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 117.918 0.326 . . . . 0.87 110.789 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -91.1 114.77 27.38 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.836 -0.802 . . . . 0.73 108.836 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 -34.35 67.91 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.697 0.999 . . . . 1.32 113.697 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.05 89.09 3.03 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 120.936 0.398 . . . . 2.08 110.361 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.05 -28.97 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.081 -0.508 . . . . 0.71 111.837 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.58 -57.78 4.08 Favored Glycine 0 C--N 1.351 1.379 0 O-C-N 123.213 0.32 . . . . 0.83 113.048 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -85.64 88.08 7.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.766 0.317 . . . . 0.85 111.218 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.71 3.69 21.17 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.142 -0.481 . . . . 1.22 111.462 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.19 -29.02 66.92 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 112.773 0.657 . . . . 0.77 112.773 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.82 -40.01 93.8 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.683 0.22 . . . . 1.09 110.871 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -87.81 -34.85 18.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.496 0.319 . . . . 1.55 110.751 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.6 ttp -57.67 -36.96 72.61 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.547 0.339 . . . . 0.84 111.429 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -65.81 -33.5 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 122.887 0.117 . . . . 2.56 110.709 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.0 m -75.48 -28.62 59.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.408 0.283 . . . . 0.61 110.541 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 79' ' ' LEU . 72.2 mt -73.21 -61.67 1.74 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 122.414 0.286 . . . . 0.68 110.389 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -83.9 70.86 10.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.213 0.53 . . . . 1.39 109.903 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.29 -19.34 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.427 -0.806 . . . . 0.73 111.82 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -84.87 -14.38 48.03 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.248 0.462 . . . . 1.44 112.248 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 59.11 51.53 6.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.437 0.695 . . . . 1.96 111.482 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.44 2.24 12.42 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.734 -0.666 . . . . 1.41 112.078 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 t 64.02 25.97 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.385 0.674 . . . . 1.31 111.632 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -140.52 126.9 19.96 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.092 0.557 . . . . 2.42 110.0 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mp -98.47 69.76 1.93 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.991 0.424 . . . . 0.95 110.058 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -65.65 159.17 25.47 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.849 -0.614 . . . . 1.89 109.731 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.81 -30.59 61.62 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.145 1.165 . . . . 1.2 114.145 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -70.2 -32.85 70.95 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.071 0.396 . . . . 0.98 110.183 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.3 -35.17 15.42 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.379 0.672 . . . . 1.03 110.856 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.625 ' HA ' HD22 ' A' ' 63' ' ' LEU . 75.8 t80 -78.99 -2.33 39.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.264 1.025 . . . . 0.69 112.537 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.23 66.54 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.564 0.579 . . . . 1.62 112.564 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.568 ' HB2' HD23 ' A' ' 63' ' ' LEU . 23.4 mmm-85 -66.3 -31.9 72.99 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.002 0.364 . . . . 1.96 111.442 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.693 ' HB2' HD21 ' A' ' 63' ' ' LEU . 13.3 tp -81.69 -29.22 33.12 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 119.521 -0.275 . . . . 0.53 110.286 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.59 -38.78 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 109.396 -0.594 . . . . 0.61 109.396 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.83 88.94 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 111.551 -0.62 . . . . 0.47 111.551 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -76.76 -23.28 52.95 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 122.637 0.375 . . . . 0.86 110.657 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.06 -52.33 59.87 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.861 0.464 . . . . 0.67 110.243 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -75.06 -32.08 61.42 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.53 0.567 . . . . 0.55 112.53 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -75.17 -25.29 58.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.28 0.474 . . . . 0.96 112.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -99.47 33.41 2.48 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -39.86 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 122.448 0.299 . . . . 0.66 110.417 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.87 -28.06 10.85 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.244 0.461 . . . . 1.74 112.244 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -131.04 45.42 2.82 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.288 0.477 . . . . 1.52 112.288 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.02 89.53 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 122.218 -0.301 . . . . 1.87 111.611 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -127.29 67.42 1.29 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.321 -0.622 . . . . 1.53 109.321 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.99 76.52 1.69 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.175 0.512 . . . . 1.81 111.208 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -167.99 -52.25 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.885 -0.598 . . . . 1.24 110.659 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -100.27 -50.01 4.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.999 0.52 . . . . 1.73 110.806 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.2 pt -107.28 141.04 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 122.813 0.445 . . . . 1.06 111.177 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.77 38.26 0.37 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.622 0.601 . . . . 2.26 112.622 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -161.55 94.03 0.95 Allowed 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 120.878 0.371 . . . . 1.74 110.901 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 122.985 0.514 . . . . 1.71 110.741 -179.422 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 111.953 0.353 . . . . 1.75 111.953 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.94 146.92 46.13 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.12 0.568 . . . . 0.78 110.738 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.58 126.01 44.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.753 0.421 . . . . 0.69 111.135 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -118.62 145.2 36.99 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 122.965 0.506 . . . . 1.1 111.198 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -76.56 127.21 9.49 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.357 2.038 . . . . 0.83 111.393 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.3 mt -126.08 -60.37 1.28 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.723 0.409 . . . . 1.24 111.476 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -122.35 161.56 23.18 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.299 0.64 . . . . 1.06 109.862 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.44 -30.78 67.19 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.926 0.713 . . . . 1.51 112.926 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -83.55 -36.06 24.29 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 117.809 0.277 . . . . 0.65 110.997 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.46 -30.4 61.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.568 0.347 . . . . 0.95 110.976 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.41 -29.8 68.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.116 0.566 . . . . 0.85 111.234 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -59.31 -56.76 17.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.87 0.468 . . . . 0.56 111.052 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.468 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -68.69 -27.78 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 123.08 0.237 . . . . 0.53 111.429 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.468 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.7 tm-20 -68.4 -39.24 81.74 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.646 0.379 . . . . 1.0 111.413 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -60.06 -37.73 80.73 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.598 0.359 . . . . 0.88 111.203 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 51.4 t -75.21 -31.39 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 122.532 0.333 . . . . 0.56 110.235 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.402 ' O ' HG12 ' B' ' 17' ' ' VAL . 76.4 t -84.29 -1.14 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.417 0 C-N-CA 123.275 0.63 . . . . 0.97 112.097 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.2 p -119.34 -40.13 2.83 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.452 0.538 . . . . 0.67 112.452 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -72.43 -52.1 17.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.431 0.53 . . . . 0.69 112.431 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -81.97 -27.29 33.29 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.808 0.669 . . . . 1.02 112.808 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.5 -22.35 66.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.27 0.471 . . . . 3.08 112.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.3 m -64.63 -29.36 70.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.645 0.378 . . . . 1.37 110.414 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -95.95 -32.67 12.5 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.286 0.634 . . . . 1.54 111.358 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -23.74 63.82 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.037 0.754 . . . . 0.85 113.037 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -66.95 -25.72 66.48 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.076 0.769 . . . . 1.73 113.076 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -48.71 -41.94 33.44 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.363 0.665 . . . . 1.68 112.436 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -91.22 177.28 6.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.721 0.408 . . . . 1.45 110.585 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.5 150.25 21.78 Favored Glycine 0 C--N 1.355 1.628 0 N-CA-C 114.488 0.555 . . . . 0.86 114.488 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 61.77 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.062 0.945 . . . . 2.62 112.217 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -80.16 -26.55 39.28 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.579 0.214 . . . . 1.11 111.579 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -96.94 41.37 1.11 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.535 0.334 . . . . 1.36 110.457 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -146.94 139.32 24.79 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.701 0.401 . . . . 1.13 111.356 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.39 131.08 44.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.812 -0.81 . . . . 0.79 108.812 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.9 152.95 34.95 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 112.444 0.535 . . . . 0.69 112.444 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.64 -22.6 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 N-CA-C 112.753 0.649 . . . . 0.71 112.753 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -98.39 -30.65 12.44 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.333 0.494 . . . . 0.83 112.333 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.26 -32.36 49.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.857 0.688 . . . . 1.61 112.857 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.44 -37.11 82.49 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.189 0.45 . . . . 0.66 111.548 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -66.54 -35.38 80.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.483 0.313 . . . . 0.81 111.185 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -72.26 -33.99 67.9 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.533 0.333 . . . . 0.69 111.054 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.47 -35.18 78.5 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.759 0.423 . . . . 0.68 110.676 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -74.76 -32.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 122.646 0.378 . . . . 0.48 111.625 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -95.46 33.59 1.58 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 122.443 0.297 . . . . 0.83 111.748 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -162.13 -53.85 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.23 0.456 . . . . 0.98 112.23 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -107.86 -17.92 13.94 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.591 0.96 . . . . 0.73 113.591 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -127.76 39.43 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.21 -34.06 0.92 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.187 1.925 . . . . 0.48 114.696 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.95 -34.82 66.76 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.853 0.297 . . . . 0.81 111.773 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.85 -50.8 39.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.451 0.3 . . . . 0.88 110.435 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -99.17 101.28 12.57 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.528 -0.916 . . . . 0.7 108.528 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -30.16 53.06 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 113.706 1.002 . . . . 1.23 113.706 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -100.78 91.04 4.44 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 120.525 0.203 . . . . 1.94 110.54 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.18 -38.2 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.377 -0.374 . . . . 0.6 110.426 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.59 -45.11 8.08 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 120.033 -0.315 . . . . 0.67 112.442 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.3 t -83.11 79.21 9.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.042 0.449 . . . . 0.92 110.436 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 13.15 13.56 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.628 -0.714 . . . . 1.24 110.927 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.37 -29.41 37.89 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.795 0.27 . . . . 0.73 111.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.15 -38.78 87.66 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.853 0.461 . . . . 1.1 111.028 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.69 -34.03 17.35 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 119.191 -0.433 . . . . 1.47 111.531 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 60.9 ttp -56.58 -42.17 78.21 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 112.105 0.409 . . . . 0.81 112.105 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.023 0.129 . . . . 2.39 110.75 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 48.7 m -71.08 -31.1 67.4 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.771 0.428 . . . . 0.63 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' B' ' 79' ' ' LEU . 45.2 mt -74.03 -57.15 4.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.75 0.42 . . . . 0.69 110.735 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.56 68.22 7.82 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.106 0.479 . . . . 1.32 110.436 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.33 -32.77 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.847 -0.615 . . . . 0.72 110.864 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -69.83 -36.1 75.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.824 0.449 . . . . 1.38 111.12 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 67.08 98.89 0.05 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.608 0.763 . . . . 2.02 111.394 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.93 -65.88 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.27 -0.423 . . . . 1.3 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -178.96 -55.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.579 0.752 . . . . 1.35 110.103 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -106.51 165.62 11.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.003 0.521 . . . . 2.4 110.119 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.09 100.71 11.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.676 0.39 . . . . 1.13 110.762 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -67.02 155.2 39.28 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.817 -0.438 . . . . 1.81 109.817 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.15 -29.31 67.33 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.246 0.461 . . . . 1.23 112.246 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.6 -23.01 63.46 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.552 0.341 . . . . 0.99 110.985 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -106.89 -8.44 16.68 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.727 0.811 . . . . 0.93 111.579 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.599 ' HA ' HD22 ' B' ' 63' ' ' LEU . 43.5 t80 -97.84 -12.07 22.56 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 112.725 0.639 . . . . 0.71 112.725 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -17.56 14.18 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.956 1.095 . . . . 1.54 113.956 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.548 ' HB2' HD23 ' B' ' 63' ' ' LEU . 17.8 mmm-85 -67.74 -32.31 72.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.165 0.439 . . . . 2.15 111.513 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.654 ' HB2' HD21 ' B' ' 63' ' ' LEU . 11.4 tp -84.98 -35.74 21.8 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.699 -0.482 . . . . 0.49 109.699 178.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.6 -35.68 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 109.502 -0.555 . . . . 0.56 109.502 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.57 -36.51 58.69 Favored Glycine 0 C--N 1.358 1.784 0 N-CA-C 111.461 -0.656 . . . . 0.42 111.461 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.43 -30.07 66.83 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.163 0.585 . . . . 0.91 110.917 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.1 -58.67 7.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.081 0.552 . . . . 0.69 110.786 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.35 -23.38 61.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.734 0.642 . . . . 0.55 112.734 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.79 -29.84 45.15 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.024 0.374 . . . . 1.1 110.884 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.91 29.71 2.03 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.132 0.419 . . . . 1.68 112.132 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.85 -37.87 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.264 -0.643 . . . . 0.63 109.264 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -38.73 6.02 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 122.758 0.423 . . . . 1.64 111.478 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.25 52.14 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.945 0.72 . . . . 1.65 112.945 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 122.028 -0.42 . . . . 2.03 111.081 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -145.58 63.59 1.26 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 108.866 -0.79 . . . . 1.36 108.866 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.63 88.23 0.35 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.832 -0.622 . . . . 1.72 112.672 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.3 tp -166.51 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.355 -0.839 . . . . 1.27 110.15 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -105.79 -34.09 7.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.04 0.536 . . . . 1.61 111.115 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.22 94.96 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.963 0.505 . . . . 1.04 110.488 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -110.35 16.12 21.84 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.909 0.707 . . . . 2.42 112.909 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -154.2 117.99 4.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.089 0.404 . . . . 1.86 111.811 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 tttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.217 -0.897 . . . . 1.85 110.421 179.045 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.501 2.105 0 N-CA-C 112.178 0.436 . . . . 2.71 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.06 158.84 15.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 122.939 0.495 . . . . 1.02 110.97 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.21 150.08 24.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 112.172 0.434 . . . . 0.7 112.172 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.37 145.25 28.41 Favored Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.963 0.505 . . . . 1.02 111.15 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.07 143.15 53.15 Favored 'Trans proline' 0 C--N 1.384 2.41 0 C-N-CA 122.792 2.328 . . . . 0.74 113.284 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.1 mt -142.17 -47.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.507 0.558 . . . . 1.19 112.507 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -142.93 168.46 19.65 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.881 0.473 . . . . 0.98 110.397 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -52.66 -47.02 67.42 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 112.75 0.648 . . . . 1.42 112.75 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 HD21 ' B' ' 41' ' ' LEU . 73.6 mt -77.53 -40.46 42.56 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 111.754 0.279 . . . . 0.65 111.754 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.58 -35.56 80.89 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.538 0.154 . . . . 1.03 111.067 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.6 -31.07 64.91 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.266 0.354 . . . . 0.81 111.317 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.9 m -60.31 -53.0 62.84 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.344 0.258 . . . . 0.63 111.593 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.24 -14.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 112.206 0.447 . . . . 0.56 112.206 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -34.25 20.39 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.611 0.764 . . . . 1.0 110.954 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -59.99 -32.38 70.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.606 0.362 . . . . 0.77 111.177 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.97 -27.09 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 110.189 -0.3 . . . . 0.5 110.189 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 t -81.72 -65.47 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.143 0.577 . . . . 0.95 110.556 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -56.99 -27.48 61.53 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.962 1.467 . . . . 0.62 114.962 -177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -77.77 -49.02 15.2 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.814 0.672 . . . . 0.66 112.814 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -97.67 -7.22 31.41 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.694 1.368 . . . . 0.95 114.694 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.16 -18.56 62.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.445 1.02 . . . . 3.17 112.426 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -63.13 -33.99 76.65 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 117.836 0.289 . . . . 1.37 110.678 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -91.62 -38.65 12.33 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.785 0.434 . . . . 1.55 110.815 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.12 -34.4 68.32 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 113.049 0.759 . . . . 0.83 113.049 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -71.71 -16.38 62.23 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.34 0.866 . . . . 1.55 113.34 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.61 -56.01 27.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.454 0.538 . . . . 1.8 112.454 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -128.59 141.49 51.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 111.723 0.268 . . . . 1.59 111.723 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.74 67.19 1.83 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-O 119.803 -0.443 . . . . 0.92 113.74 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 64.31 171.08 0.18 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.568 0.747 . . . . 2.6 111.755 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -85.26 -49.73 7.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.886 0.475 . . . . 1.22 111.226 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -76.69 -25.5 53.73 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.228 0.455 . . . . 1.43 112.228 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.2 145.44 25.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.656 0.613 . . . . 1.09 112.656 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.46 159.13 15.38 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.45 0.7 . . . . 0.76 109.744 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -86.28 157.72 19.86 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.701 -0.227 . . . . 0.68 110.745 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.09 -30.92 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 113.156 0.798 . . . . 0.64 113.156 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.39 -29.32 19.16 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 111.993 0.368 . . . . 0.82 111.993 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.94 -40.78 91.69 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.379 0.881 . . . . 1.54 113.379 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -67.31 -30.8 70.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.083 0.402 . . . . 0.65 111.37 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.78 -39.3 84.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 110.319 -0.252 . . . . 0.87 110.319 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.95 -29.6 66.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.628 0.371 . . . . 0.73 110.774 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.562 HD11 HD13 ' B' ' 9' ' ' LEU . 56.3 tp -66.15 -39.41 89.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.364 0.666 . . . . 0.65 111.522 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.71 -28.79 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 119.399 -0.334 . . . . 0.45 111.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -101.13 35.8 2.14 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.085 0.402 . . . . 0.8 111.874 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -156.83 -58.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.125 -0.36 . . . . 1.1 111.69 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -110.28 -9.15 14.66 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.967 0.729 . . . . 0.84 112.967 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -130.69 34.88 0.28 Allowed Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 112.588 0.588 . . . . 0.67 112.588 179.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 94.7 Cg_endo -76.98 -36.32 1.49 Allowed 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 122.216 1.944 . . . . 0.52 114.662 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.05 -29.99 63.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 111.857 0.317 . . . . 0.85 111.857 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.48 -52.91 18.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.515 0.326 . . . . 0.87 111.058 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.78 107.25 18.77 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.273 0.358 . . . . 0.73 110.34 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -55.78 -33.72 64.63 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.06 0.544 . . . . 1.32 112.393 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.68 79.83 8.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 109.748 -0.464 . . . . 2.08 109.748 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.37 -40.88 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.328 -0.396 . . . . 0.71 111.424 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.66 -25.07 11.09 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-O 119.634 -0.537 . . . . 0.83 113.273 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 t -90.01 67.57 7.08 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 117.597 0.699 . . . . 0.85 111.053 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.03 -7.11 33.7 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.672 -0.695 . . . . 1.22 111.239 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.88 -30.66 70.29 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.994 0.739 . . . . 0.77 112.994 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.55 -40.84 89.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.377 0.271 . . . . 1.09 110.68 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.54 -27.71 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.268 0.627 . . . . 1.55 111.47 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.4 ttp -60.25 -41.28 92.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.118 0.567 . . . . 0.84 112.292 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.66 -33.99 77.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 117.813 0.279 . . . . 2.56 111.062 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -79.13 -32.64 44.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.61 110.563 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 79' ' ' LEU . 28.0 mt -69.89 -54.71 12.2 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.62 0.768 . . . . 0.68 111.151 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -91.8 57.14 3.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 122.912 0.485 . . . . 1.39 110.505 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.77 -27.02 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 116.04 -0.527 . . . . 0.73 110.956 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.57 -32.17 71.89 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.913 0.485 . . . . 1.44 110.13 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 65.37 59.71 0.79 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 124.308 1.043 . . . . 1.96 112.163 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.37 -0.07 5.67 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.611 -0.722 . . . . 1.41 111.802 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t 80.03 -31.1 0.13 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.28 1.032 . . . . 1.31 112.843 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.31 111.46 23.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 122.739 0.415 . . . . 2.42 110.215 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.49 93.82 5.48 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.565 0.222 . . . . 0.95 111.02 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -70.93 167.54 18.86 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.645 -0.502 . . . . 1.89 109.645 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -30.06 70.52 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.649 0.658 . . . . 1.2 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -68.59 -36.41 78.68 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 122.738 0.415 . . . . 0.98 110.108 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -87.92 -24.91 23.47 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.823 0.449 . . . . 1.03 111.034 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -83.74 -12.05 56.31 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.906 0.882 . . . . 0.69 110.77 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -27.25 64.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.12 0.968 . . . . 1.62 112.16 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -62.86 -30.88 71.85 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.152 0.181 . . . . 1.96 111.255 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.48 ' HB2' HD21 ' A' ' 63' ' ' LEU . 17.0 tp -84.66 -35.26 22.74 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 119.358 -0.353 . . . . 0.53 110.762 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.96 -40.19 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 122.474 0.31 . . . . 0.61 110.394 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.41 -38.34 86.83 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.581 -0.607 . . . . 0.47 111.581 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.16 -27.44 65.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 122.753 0.421 . . . . 0.86 111.51 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.79 -59.23 5.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.819 0.448 . . . . 0.67 110.803 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -71.83 -28.61 63.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.627 0.371 . . . . 0.55 111.483 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.53 -26.45 64.52 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.21 0.204 . . . . 0.96 110.75 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.5 34.9 3.4 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 122.75 0.42 . . . . 1.65 111.847 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.434 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -105.51 -41.47 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.815 -0.439 . . . . 0.66 109.815 177.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -35.05 5.29 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.91 0.484 . . . . 1.74 111.985 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -118.25 39.49 3.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 111.914 0.339 . . . . 1.52 111.914 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -61.1 -41.11 96.07 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 120.493 0.187 . . . . 1.87 110.926 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -136.28 57.37 1.78 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.933 -0.765 . . . . 1.53 108.933 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -70.75 78.9 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 121.492 0.663 . . . . 1.81 111.899 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -169.95 -49.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.243 -0.89 . . . . 1.24 109.801 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -91.77 -43.03 9.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.071 0.548 . . . . 1.73 110.266 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 pt -134.91 134.63 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.231 0.612 . . . . 1.06 110.3 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -150.04 44.34 0.9 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.365 0.506 . . . . 2.26 112.365 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -162.02 107.45 1.26 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.402 -0.363 . . . . 1.74 110.636 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.241 0.543 . . . . 1.71 110.499 179.727 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.552 1.053 0 N-CA-C 112.127 0.417 . . . . 1.75 112.127 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.01 130.83 50.77 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.995 0.518 . . . . 0.78 110.672 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.408 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -87.95 115.29 25.31 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.054 0.221 . . . . 0.69 111.414 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.62 144.28 27.85 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 122.899 0.48 . . . . 1.1 111.003 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.25 138.29 60.43 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.514 2.143 . . . . 0.83 113.514 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.8 mt -134.16 -136.58 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.223 0.609 . . . . 1.24 109.967 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -66.77 169.69 7.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 119.141 0.882 . . . . 1.06 111.079 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -51.47 -49.74 61.2 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.3 0.852 . . . . 1.51 113.3 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.562 HD13 HD11 ' A' ' 41' ' ' LEU . 79.1 mt -74.84 -34.54 62.32 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.936 0.347 . . . . 0.65 111.936 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -71.08 -35.53 71.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.425 0.29 . . . . 0.95 110.639 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.7 -24.7 53.14 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.371 0.668 . . . . 0.85 111.895 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -60.15 -54.47 45.49 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.845 0.293 . . . . 0.56 111.359 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -70.39 -27.82 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.324 0.249 . . . . 0.53 111.415 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.408 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 2.2 tm-20 -68.17 -38.03 81.63 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 122.911 0.484 . . . . 1.0 111.029 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 36.6 m -59.49 -31.98 69.85 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.731 0.413 . . . . 0.88 111.54 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.98 -36.56 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.72 -0.474 . . . . 0.56 109.72 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.84 -39.83 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.739 0.416 . . . . 0.97 111.086 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -71.66 -35.09 70.22 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.062 0.764 . . . . 0.67 113.062 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -76.14 -42.65 46.12 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.498 -0.287 . . . . 0.69 111.346 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.86 60.91 0.79 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 121.048 0.452 . . . . 1.02 110.919 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -119.81 -40.96 2.7 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.942 -0.572 . . . . 3.08 109.914 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -64.32 -33.3 75.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 1.37 111.605 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.67 -35.38 20.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.914 0.486 . . . . 1.54 110.912 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.15 67.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.431 0.9 . . . . 0.85 113.431 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -75.56 -17.04 60.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.363 0.875 . . . . 1.73 113.363 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.614 0.598 . . . . 1.68 112.614 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -100.62 -176.37 3.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.376 . . . . 1.45 110.68 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.92 136.2 10.24 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.171 0.428 . . . . 0.86 114.171 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 65.24 128.58 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.164 0.986 . . . . 2.62 112.017 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -63.3 -49.4 74.14 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.843 0.457 . . . . 1.11 112.214 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.63 56.1 2.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.523 0.329 . . . . 1.36 111.019 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -152.69 135.94 15.78 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.008 0.373 . . . . 1.13 112.008 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.68 146.49 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.716 -0.674 . . . . 0.79 110.301 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -89.72 161.47 16.05 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.453 0.168 . . . . 0.69 111.055 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.43 -30.82 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 112.593 0.59 . . . . 0.71 112.593 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -95.3 -34.11 12.3 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.666 0.386 . . . . 0.83 111.968 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.52 -34.68 72.58 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.851 0.686 . . . . 1.61 112.851 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -37.26 68.36 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 117.694 0.225 . . . . 0.66 111.213 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.4 -34.56 78.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.495 0.318 . . . . 0.81 111.637 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.586 0.354 . . . . 0.69 111.369 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.431 HD21 HD13 ' A' ' 9' ' ' LEU . 6.3 tp -68.47 -35.9 78.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.763 0.425 . . . . 0.68 110.76 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.06 -30.8 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.212 0.605 . . . . 0.48 111.722 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.19 20.65 13.13 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.535 0.569 . . . . 0.83 112.535 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -146.48 -64.03 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.343 0.497 . . . . 0.98 112.343 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -99.31 -12.52 20.26 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.417 0.895 . . . . 0.73 113.417 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -132.53 48.21 3.35 Favored Pre-proline 0 CA--C 1.564 1.518 0 CA-C-N 118.231 0.469 . . . . 0.62 111.922 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -83.26 -34.89 0.29 Allowed 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.479 2.12 . . . . 0.48 114.713 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -83.56 -8.07 59.4 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.005 0.743 . . . . 0.81 113.005 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.79 -54.99 4.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.257 0.48 . . . . 0.88 110.106 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.2 mt -94.44 108.71 20.63 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.283 -1.006 . . . . 0.7 108.283 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.64 -30.65 61.33 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.835 1.05 . . . . 1.23 113.835 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -104.75 83.01 1.96 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.098 -0.334 . . . . 1.94 110.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.65 -25.41 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 112.413 0.523 . . . . 0.6 112.413 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.27 -60.48 2.52 Favored Glycine 0 C--N 1.351 1.381 0 C-N-CA 121.454 -0.403 . . . . 0.67 112.656 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -82.81 80.68 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.89 0.376 . . . . 0.92 111.245 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -3.58 51.86 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.345 -0.389 . . . . 1.24 111.696 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.16 -34.45 66.19 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.566 0.58 . . . . 0.73 112.566 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.19 -36.33 82.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.057 0.143 . . . . 1.1 111.04 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -107.74 40.75 1.65 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.64 0.376 . . . . 1.47 110.293 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -131.12 -46.81 1.01 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.238 0.615 . . . . 0.81 110.531 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -67.84 -38.21 82.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.511 0.324 . . . . 2.39 110.78 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.9 m -67.44 -28.6 68.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.517 0.327 . . . . 0.63 111.875 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.39 -56.88 4.47 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.846 -0.427 . . . . 0.69 109.846 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.56 74.42 6.77 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.519 -0.549 . . . . 1.32 109.519 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 p -83.81 -18.75 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 CA-C-N 116.016 -0.538 . . . . 0.72 111.83 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -77.96 -22.26 49.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.18 0.437 . . . . 1.38 112.18 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 61.47 63.65 1.16 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.696 0.799 . . . . 2.02 111.598 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -131.6 5.74 4.35 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.311 -0.859 . . . . 1.3 111.462 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t 64.75 29.47 12.74 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 123.535 0.734 . . . . 1.35 112.287 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.27 130.65 25.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.672 0.389 . . . . 2.4 110.047 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.42 79.72 1.26 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.97 0.414 . . . . 1.13 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -70.25 174.39 5.63 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.61 -0.885 . . . . 1.81 108.61 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.4 -22.99 65.49 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.418 1.008 . . . . 1.23 111.475 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -74.12 -37.02 64.22 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.027 0.531 . . . . 0.99 110.141 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.33 -48.57 11.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.239 0.616 . . . . 0.93 109.878 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.18 -19.71 55.25 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.082 0.953 . . . . 0.71 111.229 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -36.37 -48.96 0.68 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.013 1.725 . . . . 1.54 114.309 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -62.11 -33.23 74.05 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.738 0.644 . . . . 2.15 112.738 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -73.99 -35.33 64.44 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.101 0.41 . . . . 0.49 110.397 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.38 -40.69 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.074 0.55 . . . . 0.56 110.576 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.33 -36.24 92.47 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 121.305 -0.474 . . . . 0.42 112.028 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -76.28 -24.22 54.42 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 119.243 -0.408 . . . . 0.91 111.939 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.25 -47.96 80.22 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.957 0.344 . . . . 0.69 110.537 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.57 -15.29 52.81 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.556 0.576 . . . . 0.55 112.556 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -83.8 -43.31 15.54 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.684 0.394 . . . . 1.1 111.717 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.69 -23.23 49.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.03 0.752 . . . . 1.68 113.03 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.529 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -64.42 -36.46 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 118.271 0.487 . . . . 0.63 111.542 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -93.08 -40.2 10.65 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.356 0.502 . . . . 1.64 112.356 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.69 71.57 1.45 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 112.872 0.693 . . . . 1.65 112.872 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -73.5 -42.07 62.3 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.816 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -135.04 73.96 1.5 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.002 -0.74 . . . . 1.36 109.002 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.92 -31.2 70.73 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.735 0.643 . . . . 1.72 112.735 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 mp -74.99 -41.67 59.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.438 0.295 . . . . 1.27 111.678 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -81.94 -64.16 1.24 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.941 0.348 . . . . 1.61 111.941 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 pt -109.86 149.1 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 111.933 0.346 . . . . 1.04 111.933 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -135.93 12.56 3.37 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 113.046 0.758 . . . . 2.42 113.046 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -153.46 102.5 2.58 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.418 0.553 . . . . 1.86 111.445 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.262 -0.875 . . . . 1.85 110.252 179.459 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptm . . . . . 0 N--CA 1.499 2.025 0 N-CA-C 113.194 0.813 . . . . 2.71 113.194 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 143.24 47.33 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.101 0.41 . . . . 1.02 111.463 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.98 128.9 39.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.198 -0.455 . . . . 0.7 111.37 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -123.44 135.92 26.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 123.026 0.531 . . . . 1.02 111.194 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.06 136.42 76.52 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.623 2.215 . . . . 0.74 113.342 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -138.53 -155.39 0.59 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 123.244 0.618 . . . . 1.19 109.653 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -59.61 176.22 0.29 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 118.757 0.708 . . . . 0.98 111.957 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -57.02 -44.6 83.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.325 0.861 . . . . 1.42 113.325 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.75 -37.87 55.18 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.185 0.448 . . . . 0.65 111.035 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.43 -20.36 61.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.399 0.28 . . . . 1.03 111.622 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -87.73 -25.72 23.3 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.034 0.533 . . . . 0.81 110.716 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -58.5 -56.47 21.77 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.451 0.301 . . . . 0.63 110.97 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 14' ' ' GLU . 2.6 pp -70.29 -25.49 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 O-C-N 122.915 0.134 . . . . 0.56 111.1 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 13' ' ' ILE . 10.4 tm-20 -70.94 -36.78 72.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 1.0 111.056 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.29 -29.52 70.83 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.436 0.294 . . . . 0.77 110.771 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.0 t -72.6 -30.26 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.03 0.532 . . . . 0.5 110.693 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 t -101.38 38.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 122.931 0.492 . . . . 0.95 110.614 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -143.23 -52.11 0.36 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.874 0.47 . . . . 0.62 111.087 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -67.06 -41.51 86.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.435 0.294 . . . . 0.66 111.301 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -109.13 37.68 2.5 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 122.43 0.292 . . . . 0.95 111.306 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -95.13 -35.03 12.05 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.038 -0.356 . . . . 3.17 110.038 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 m -71.63 -30.17 65.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.06 0.544 . . . . 1.37 111.251 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.11 -30.79 22.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.837 0.455 . . . . 1.55 111.993 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.89 -14.98 61.6 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.261 0.837 . . . . 0.83 113.261 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -93.49 11.53 28.22 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.76 1.022 . . . . 1.55 113.76 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -73.55 -40.86 63.64 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.045 0.384 . . . . 1.8 111.084 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -97.28 -171.64 2.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.988 0.515 . . . . 1.59 110.258 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.0 148.51 13.03 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 114.04 0.376 . . . . 0.92 114.04 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 66.76 137.18 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.159 0.984 . . . . 2.6 112.159 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -77.38 -35.92 54.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.103 0.561 . . . . 1.22 111.765 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -107.58 55.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.002 0.43 . . . . 1.43 110.204 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -147.95 139.96 24.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.992 -0.549 . . . . 1.09 111.059 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mp -98.68 140.6 32.66 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.81 -0.441 . . . . 0.76 109.81 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -80.22 152.45 29.11 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.164 0.186 . . . . 0.68 111.34 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.86 -32.37 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 112.327 0.491 . . . . 0.64 112.327 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -90.06 -35.11 15.66 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.556 0.342 . . . . 0.82 111.802 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.58 -40.91 73.01 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.117 0.414 . . . . 1.54 112.117 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -32.24 69.34 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.821 0.282 . . . . 0.65 110.567 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -60.31 -34.24 73.52 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.996 0.518 . . . . 0.87 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.53 -29.04 37.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.88 0.472 . . . . 0.73 111.526 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.75 -33.77 74.47 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.533 0.333 . . . . 0.65 111.746 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.9 -20.32 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 122.608 0.363 . . . . 0.45 111.085 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -91.52 -28.76 17.38 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 112.625 0.602 . . . . 0.8 112.625 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -105.15 -53.76 2.6 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.487 0.921 . . . . 1.1 113.487 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -94.68 -12.45 27.28 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.664 0.987 . . . . 0.84 113.664 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.57 42.62 0.92 Allowed Pre-proline 0 CA--C 1.566 1.574 0 CA-C-N 118.443 0.565 . . . . 0.67 112.239 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.74 -38.65 0.46 Allowed 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 122.066 1.844 . . . . 0.52 114.313 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -80.85 -16.2 54.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.627 0.603 . . . . 0.85 112.627 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.81 -67.21 0.77 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.961 -0.385 . . . . 0.87 109.961 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.77 106.33 18.44 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.212 -1.033 . . . . 0.73 108.212 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -22.75 61.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.125 0.787 . . . . 1.32 113.125 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -82.53 70.61 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.964 0.411 . . . . 2.08 110.267 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.9 -36.41 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 CA-C-N 116.168 -0.469 . . . . 0.71 112.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.23 -54.7 3.09 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.945 -0.364 . . . . 0.83 112.766 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -81.48 80.06 7.95 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.74 -0.467 . . . . 0.85 109.74 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.15 67.46 0.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.721 -0.672 . . . . 1.22 109.383 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 -42.28 1.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.305 -0.861 . . . . 0.77 111.428 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.39 -36.31 83.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.727 0.24 . . . . 1.09 110.959 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -101.5 30.42 4.28 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.502 0.321 . . . . 1.55 111.091 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.6 ttp -120.8 -48.04 2.28 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.459 -0.571 . . . . 0.84 109.459 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.81 -33.0 58.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.845 0.458 . . . . 2.56 110.792 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.9 m -63.11 -28.99 70.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.524 0.33 . . . . 0.61 111.071 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.37 -57.62 3.68 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 109.475 -0.565 . . . . 0.68 109.475 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -88.58 76.76 8.1 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.208 0.528 . . . . 1.39 110.547 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.12 -10.12 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.53 -0.759 . . . . 0.73 112.056 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.2 -19.13 27.3 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.373 0.669 . . . . 1.44 111.832 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 63.58 76.08 0.37 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 123.818 0.847 . . . . 1.96 111.771 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 22.63 1.99 Allowed 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.822 -0.626 . . . . 1.41 111.84 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 t 66.62 -61.14 0.32 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.52 1.128 . . . . 1.31 113.185 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.83 144.82 36.72 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.112 0.415 . . . . 2.42 111.076 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.25 92.24 4.64 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 123.322 0.389 . . . . 0.95 110.151 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -62.77 162.18 11.32 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.281 -0.637 . . . . 1.89 109.281 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -24.06 48.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.127 0.876 . . . . 1.2 111.887 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.06 -31.46 67.89 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 109.939 -0.393 . . . . 0.98 109.939 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.55 -45.81 12.21 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 108.948 -0.76 . . . . 1.03 108.948 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.73 -20.63 63.72 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.678 0.791 . . . . 0.69 111.143 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -43.66 -44.63 6.51 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.775 1.63 . . . . 1.62 112.68 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -62.81 -31.15 72.07 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.003 0.742 . . . . 1.96 113.003 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.7 -33.12 41.26 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 119.489 -0.291 . . . . 0.53 111.336 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.87 -33.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 110.2 -0.296 . . . . 0.61 110.2 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.5 95.33 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.952 -0.459 . . . . 0.47 111.952 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.16 -26.77 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.873 0.469 . . . . 0.86 111.409 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.5 -54.27 48.55 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.602 0.361 . . . . 0.67 111.056 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 87' ' ' ILE . . . -80.64 -21.69 41.21 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.214 0.82 . . . . 0.55 113.214 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -80.54 -36.6 32.85 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.047 0.385 . . . . 0.96 111.012 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -95.55 33.45 1.62 Allowed 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 112.049 0.388 . . . . 1.65 112.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -102.66 -43.33 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.531 0.333 . . . . 0.66 110.238 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -37.68 7.69 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 112.225 0.454 . . . . 1.74 112.225 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -124.56 58.0 1.23 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 111.958 0.355 . . . . 1.52 111.958 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -33.69 76.5 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 110.224 -0.287 . . . . 1.87 110.224 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -142.53 77.32 1.57 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.043 -1.095 . . . . 1.53 108.043 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.5 -33.73 70.14 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.224 0.824 . . . . 1.81 113.224 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -73.24 -26.95 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.665 0.616 . . . . 1.24 112.665 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -102.7 -57.62 2.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.412 0.285 . . . . 1.73 111.426 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.3 pt -113.71 124.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.0 0.52 . . . . 1.06 111.605 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -143.08 42.41 1.54 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.297 -0.41 . . . . 2.26 111.334 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -158.16 89.0 0.97 Allowed 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.813 0.339 . . . . 1.74 111.537 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.4 mttp . . . . . 0 N--CA 1.475 0.803 0 CA-C-N 116.182 -0.463 . . . . 1.71 110.657 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptt? . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 112.157 0.429 . . . . 1.75 112.157 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.31 141.83 35.24 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 122.69 0.396 . . . . 0.78 111.487 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.451 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -85.39 121.61 28.35 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.384 -0.371 . . . . 0.69 110.763 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -124.85 143.71 44.61 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.824 0.45 . . . . 1.1 111.265 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.88 147.92 49.11 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.459 2.772 . . . . 0.83 114.385 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 mt -141.79 -60.46 0.47 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.564 0.346 . . . . 1.24 111.931 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.418 HG22 ' H ' ' B' ' 8' ' ' GLU . 1.9 m -142.69 173.43 11.54 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.137 0.575 . . . . 1.06 110.437 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.418 ' H ' HG22 ' B' ' 7' ' ' THR . 43.1 mt-10 -49.03 -53.97 17.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.83 1.048 . . . . 1.51 113.83 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.67 -33.74 35.29 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.35 0.5 . . . . 0.65 112.35 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.98 -26.62 64.17 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.833 0.288 . . . . 0.95 111.322 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.2 -32.02 30.06 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.186 0.594 . . . . 0.85 111.216 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -55.66 -60.44 3.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.61 0.364 . . . . 0.56 111.209 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.74 -26.85 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 111.939 0.348 . . . . 0.53 111.939 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.451 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 2.3 tm-20 -73.31 -36.18 66.2 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.098 0.559 . . . . 1.0 111.634 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 84.8 m -57.55 -31.64 66.3 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.724 0.41 . . . . 0.88 112.085 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.66 -28.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.216 0.206 . . . . 0.56 110.702 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -94.02 33.01 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.526 0 C-N-CA 122.744 0.417 . . . . 0.97 110.893 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -148.45 -45.28 0.15 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.005 0.522 . . . . 0.67 112.164 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -64.11 -66.26 0.57 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.254 0.464 . . . . 0.69 112.254 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.49 -8.72 49.67 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.486 0.55 . . . . 1.02 112.486 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -75.94 -8.9 58.02 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.521 0.601 . . . . 3.08 112.513 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 m -70.73 -34.57 72.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.3 -0.63 . . . . 1.37 109.3 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -89.61 -30.92 17.82 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.514 0.726 . . . . 1.54 110.902 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.42 69.18 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.14 0.793 . . . . 0.85 113.14 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -83.7 8.14 15.44 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.651 0.611 . . . . 1.73 112.651 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -78.8 -35.2 44.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.705 0.402 . . . . 1.68 110.782 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.9 -168.81 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.965 0.506 . . . . 1.45 110.254 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.75 135.45 25.04 Favored Glycine 0 C--N 1.36 1.878 0 N-CA-C 114.335 0.494 . . . . 0.86 114.335 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? 63.12 131.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.125 0.97 . . . . 2.62 112.173 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -71.48 -38.29 71.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.631 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -98.7 53.98 1.02 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.013 0.525 . . . . 1.36 109.908 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.5 t -159.54 142.04 13.74 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.235 -0.439 . . . . 1.13 112.129 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.32 153.34 18.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.892 0.477 . . . . 0.79 109.934 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -86.18 159.46 19.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.338 0.255 . . . . 0.69 110.605 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.77 -26.01 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 112.786 0.661 . . . . 0.71 112.786 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -95.13 -32.24 13.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.651 0.38 . . . . 0.83 111.49 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.06 -43.9 77.55 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.761 0.652 . . . . 1.61 112.761 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.28 -34.97 78.83 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 111.919 0.34 . . . . 0.66 111.919 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.74 -36.17 73.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 119.708 -0.187 . . . . 0.81 111.049 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.27 -34.74 75.22 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.393 0.277 . . . . 0.69 110.563 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.8 -37.02 85.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.679 0.392 . . . . 0.68 110.85 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -77.11 -28.27 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 123.221 0.326 . . . . 0.48 111.767 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -102.99 23.52 12.15 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.643 0.609 . . . . 0.83 112.643 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -146.18 -56.35 0.28 Allowed 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.982 -0.449 . . . . 0.98 112.087 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -107.34 -8.58 16.29 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.177 0.806 . . . . 0.73 113.177 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 47.04 1.55 Allowed Pre-proline 0 CA--C 1.562 1.414 0 CA-C-N 118.409 0.55 . . . . 0.62 111.681 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.34 -36.25 0.7 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.665 2.243 . . . . 0.48 114.475 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -66.66 -40.22 88.53 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.244 0.461 . . . . 0.81 112.244 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -63.11 1.36 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.261 0.351 . . . . 0.88 111.074 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.4 86.4 5.66 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.298 -0.631 . . . . 0.7 109.298 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -49.85 -38.55 35.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.978 0.733 . . . . 1.23 112.978 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.31 72.43 10.71 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.931 0.396 . . . . 1.94 110.74 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -69.05 -33.43 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 116.421 -0.354 . . . . 0.6 111.745 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.79 -44.52 19.7 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.999 -0.44 . . . . 0.67 111.999 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -86.22 82.23 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.24 -0.652 . . . . 0.92 109.24 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.59 4.74 13.21 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.454 -0.793 . . . . 1.24 111.957 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.15 -31.17 64.09 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.373 0.508 . . . . 0.73 112.373 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.3 -41.51 93.59 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.235 0.214 . . . . 1.1 110.812 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.68 -38.38 25.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 119.469 -0.301 . . . . 1.47 110.459 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 57.6 ttp -52.88 -40.99 63.92 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.728 0.411 . . . . 0.81 111.631 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -71.23 -39.59 71.6 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.373 0.269 . . . . 2.39 111.124 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -66.91 -35.84 80.91 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.51 0.324 . . . . 0.63 111.156 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' B' ' 79' ' ' LEU . 15.8 mt -70.61 -57.03 5.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.769 0.428 . . . . 0.69 110.295 178.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -85.97 76.15 9.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.123 0.487 . . . . 1.32 109.967 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 p -94.92 -29.09 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 115.566 -0.743 . . . . 0.72 111.831 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.47 -18.48 41.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.526 0.331 . . . . 1.38 111.843 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.57 70.95 0.54 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 123.905 0.882 . . . . 2.02 111.92 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -134.87 7.99 3.5 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 115.798 -0.637 . . . . 1.3 112.061 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 59.4 28.17 17.47 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 123.635 0.774 . . . . 1.35 112.153 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -143.73 134.5 25.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 122.88 0.472 . . . . 2.4 110.405 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.28 81.67 1.48 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.651 0.263 . . . . 1.13 111.628 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -70.31 161.23 30.78 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.214 -1.032 . . . . 1.81 108.214 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -28.09 55.06 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.192 0.906 . . . . 1.23 112.503 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.2 -34.41 78.3 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.119 0.418 . . . . 0.99 110.109 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.39 -34.95 14.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.424 0.69 . . . . 0.93 110.723 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.514 ' HA ' HD22 ' B' ' 63' ' ' LEU . 26.0 t80 -72.84 -16.21 61.6 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.721 0.809 . . . . 0.71 112.328 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -26.64 56.48 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.207 0.603 . . . . 1.54 111.688 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' B' ' 63' ' ' LEU . 1.2 mmt-85 -61.29 -35.53 77.58 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 117.733 0.242 . . . . 2.15 111.208 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.5 tp -79.33 -31.77 43.17 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.663 0.385 . . . . 0.49 111.048 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.25 -38.77 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 122.644 0.377 . . . . 0.56 110.711 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.77 -44.51 92.1 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 112.135 -0.386 . . . . 0.42 112.135 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.36 -26.19 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.249 0.219 . . . . 0.91 110.796 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . 0.488 HD13 ' HG ' ' B' ' 79' ' ' LEU . 1.5 mp -67.08 -50.29 62.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.15 0.58 . . . . 0.69 110.263 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -6.66 58.35 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.464 0.913 . . . . 0.55 113.464 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -98.47 -42.47 7.3 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.227 0.467 . . . . 1.1 110.905 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.12 -12.28 59.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.828 0.677 . . . . 1.68 112.828 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.94 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 118.309 0.504 . . . . 0.63 111.169 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -86.74 -41.95 13.73 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.898 0.479 . . . . 1.64 111.826 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -138.11 85.2 2.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 121.304 0.573 . . . . 1.65 112.302 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -36.72 37.94 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.147 -0.479 . . . . 2.03 109.759 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -116.21 73.01 0.83 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.433 -0.951 . . . . 1.36 108.433 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.19 65.48 1.17 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.013 0.435 . . . . 1.72 112.058 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -176.54 -43.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.433 0.693 . . . . 1.27 110.985 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -93.24 -50.86 5.28 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 122.948 0.499 . . . . 1.61 111.13 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.05 131.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 122.683 0.393 . . . . 1.04 111.454 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -145.03 25.09 1.43 Allowed 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.13 0.789 . . . . 2.42 113.13 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -135.87 65.26 1.54 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.488 0.661 . . . . 1.86 111.153 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.323 -0.846 . . . . 1.85 110.495 179.572 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 121.025 0.441 . . . . 2.71 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 136.52 11.78 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.899 -0.591 . . . . 1.02 110.748 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.6 124.0 40.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.721 0.267 . . . . 0.7 111.721 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -134.68 134.53 22.25 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.56 0.744 . . . . 1.02 109.987 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.74 147.86 25.07 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.381 2.054 . . . . 0.74 113.226 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.62 -75.01 0.36 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.758 0.423 . . . . 1.19 110.794 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -104.1 165.96 10.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.285 0.634 . . . . 0.98 109.795 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -55.62 -50.2 70.81 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.236 0.458 . . . . 1.42 112.236 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.8 -35.23 79.6 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 119.705 -0.188 . . . . 0.65 111.494 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.42 -38.61 74.62 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 110.09 -0.337 . . . . 1.03 110.09 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.98 -30.43 70.55 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.891 0.476 . . . . 0.81 111.065 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -64.41 -43.97 92.73 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.386 0.274 . . . . 0.63 110.606 178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -85.49 -12.33 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 112.22 0.452 . . . . 0.56 112.22 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -88.47 -41.47 12.74 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.185 0.594 . . . . 1.0 110.749 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -62.93 -29.17 70.58 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.953 0.353 . . . . 0.77 111.953 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -65.51 -28.58 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 109.913 -0.403 . . . . 0.5 109.913 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.43 -64.46 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 122.826 0.45 . . . . 0.95 110.713 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.5 p -52.41 -39.32 60.78 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.985 1.476 . . . . 0.62 114.985 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -66.53 -34.32 77.66 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.752 1.019 . . . . 0.66 113.752 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.76 -19.39 12.46 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.118 1.155 . . . . 0.95 114.118 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.84 -13.31 60.55 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.321 0.964 . . . . 3.17 113.444 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -70.87 -29.93 66.17 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.324 0.511 . . . . 1.37 109.641 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -98.12 -29.5 13.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.467 0.707 . . . . 1.55 111.472 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.29 62.68 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 112.937 0.718 . . . . 0.83 112.937 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.33 -20.89 63.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.986 0.736 . . . . 1.55 112.986 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -52.72 -43.43 65.67 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.818 0.847 . . . . 1.8 112.495 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.09 -179.49 7.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.482 0.313 . . . . 1.59 111.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.39 142.05 5.4 Favored Glycine 0 C--N 1.361 1.961 0 N-CA-C 115.017 0.767 . . . . 0.92 115.017 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 67.02 145.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.598 1.159 . . . . 2.6 111.981 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -87.82 -14.09 40.46 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 112.687 0.625 . . . . 1.22 112.687 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.22 59.09 1.09 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.692 0.397 . . . . 1.43 110.626 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -156.88 149.14 23.1 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.534 0.568 . . . . 1.09 112.534 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.63 149.09 23.71 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.717 -0.674 . . . . 0.76 109.32 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -84.26 154.19 23.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.317 0.247 . . . . 0.68 111.499 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -75.14 -32.95 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 112.41 0.522 . . . . 0.64 112.41 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -83.33 -43.71 15.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.433 0.293 . . . . 0.82 111.313 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.42 -26.98 66.69 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 111.965 0.357 . . . . 1.54 111.965 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.04 -42.0 81.24 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.744 0.418 . . . . 0.65 110.643 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.91 -31.39 72.6 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.663 0.385 . . . . 0.87 111.65 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -84.56 -33.67 23.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.798 0.439 . . . . 0.73 111.59 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.47 -38.64 91.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.67 0.213 . . . . 0.65 111.351 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.94 -29.59 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 122.584 0.354 . . . . 0.45 111.61 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -110.8 48.2 0.93 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 121.03 0.443 . . . . 0.8 111.793 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -166.28 -52.38 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.87 0.468 . . . . 1.1 110.792 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -113.02 -3.23 14.05 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 112.711 0.634 . . . . 0.84 112.711 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.55 40.32 0.38 Allowed Pre-proline 0 CA--C 1.566 1.578 0 N-CA-C 112.095 0.406 . . . . 0.67 112.095 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.4 -40.34 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 121.906 1.738 . . . . 0.52 114.505 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.19 -38.05 69.16 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.912 0.338 . . . . 0.85 111.912 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.74 -59.45 5.15 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.829 0.451 . . . . 0.87 110.57 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.25 99.18 10.11 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.512 -0.922 . . . . 0.73 108.512 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -57.6 -28.59 63.78 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 111.915 0.339 . . . . 1.32 111.915 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -78.01 80.29 4.45 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 122.85 0.46 . . . . 2.08 110.5 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -96.16 -35.76 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 116.066 -0.515 . . . . 0.71 112.298 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -50.59 7.16 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 119.755 -0.469 . . . . 0.83 113.283 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -84.66 88.47 7.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.213 0.506 . . . . 0.85 110.617 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.94 45.01 0.98 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.286 -0.416 . . . . 1.22 110.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -114.97 -43.26 3.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.852 0.461 . . . . 0.77 111.661 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.89 -37.08 86.45 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 117.832 0.287 . . . . 1.09 110.558 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -47.31 37.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 110.09 -0.337 . . . . 1.55 110.09 177.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttt -59.52 -39.04 82.58 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.074 0.768 . . . . 0.84 113.074 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -67.55 -43.73 79.96 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 111.965 0.357 . . . . 2.56 111.965 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.044 0.387 . . . . 0.61 112.044 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.712 HD22 ' HA ' ' A' ' 76' ' ' TYR . 30.7 mt -74.37 -58.42 3.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.405 0.282 . . . . 0.68 110.987 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.43 83.19 7.97 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.914 0.388 . . . . 1.39 110.633 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 p -90.51 -40.08 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 115.815 -0.63 . . . . 0.73 110.419 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -75.62 -25.83 57.27 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 122.62 0.368 . . . . 1.44 111.007 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 63.2 79.67 0.25 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 123.9 0.88 . . . . 1.96 111.691 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -131.53 25.46 4.77 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.642 -0.708 . . . . 1.41 111.074 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 t 70.78 -68.45 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.077 0.951 . . . . 1.31 112.007 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 150.78 45.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.405 0.282 . . . . 2.42 111.164 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.22 92.75 4.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.734 0.413 . . . . 0.95 111.554 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.87 161.11 29.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.412 -0.588 . . . . 1.89 109.412 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.52 -26.96 67.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.617 0.599 . . . . 1.2 112.617 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.12 -31.81 69.53 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.832 -0.433 . . . . 0.98 109.832 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -84.77 -40.89 16.71 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.731 0.412 . . . . 1.03 110.188 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.712 ' HA ' HD22 ' A' ' 63' ' ' LEU . 39.1 t80 -68.54 -16.6 63.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.179 0.592 . . . . 0.69 111.085 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -40.16 -40.88 1.18 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.874 1.67 . . . . 1.62 113.649 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.546 ' HB2' HD23 ' A' ' 63' ' ' LEU . 19.1 mmm-85 -62.8 -33.56 75.46 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.219 0.822 . . . . 1.96 113.219 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 63' ' ' LEU . 2.1 tp -79.19 -28.1 42.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 117.955 0.343 . . . . 0.53 111.699 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -55.29 -40.55 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 122.317 0.247 . . . . 0.61 110.381 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.37 -33.95 46.96 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 120.029 -0.317 . . . . 0.47 112.354 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.67 -26.94 63.67 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.157 0.583 . . . . 0.86 111.833 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.12 -48.35 65.65 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.698 0.399 . . . . 0.67 110.962 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.23 -11.73 60.13 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 111.941 0.349 . . . . 0.55 111.941 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -84.56 -41.51 16.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.328 0.651 . . . . 0.96 110.712 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.58 -20.06 47.86 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.63 0.604 . . . . 1.65 112.63 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.468 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -61.84 -39.46 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 112.563 0.579 . . . . 0.66 112.563 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' H ' ' HD3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -102.38 -42.28 6.05 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.374 0.509 . . . . 1.74 112.374 -178.073 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -138.33 78.83 1.7 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.502 0.556 . . . . 1.52 112.502 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.66 -33.1 35.86 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.721 -0.474 . . . . 1.87 109.721 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -116.39 68.46 0.73 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.549 -0.908 . . . . 1.53 108.549 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.86 66.98 2.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.483 0.658 . . . . 1.81 111.373 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tp -175.07 -45.2 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.322 -0.854 . . . . 1.24 110.897 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -91.99 -55.94 3.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.369 0.668 . . . . 1.73 111.354 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.23 128.35 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.732 0.413 . . . . 1.06 110.926 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -135.44 49.46 2.17 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.908 0.385 . . . . 2.26 111.728 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.51 83.51 0.47 Allowed 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.215 0.531 . . . . 1.74 110.724 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.3 tttp . . . . . 0 N--CA 1.474 0.734 0 CA-C-N 115.697 -0.683 . . . . 1.71 110.251 -179.369 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 113.11 0.781 . . . . 1.75 113.11 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.67 138.88 49.58 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.113 0.415 . . . . 0.78 111.149 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 100.92 8.87 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.6 0.238 . . . . 0.69 110.677 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -92.66 145.12 29.78 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.67 0.788 . . . . 1.1 111.501 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.44 126.53 15.72 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.426 2.084 . . . . 0.83 113.044 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.3 mt -122.15 -137.05 0.31 Allowed 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 118.797 -0.62 . . . . 1.24 110.495 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -78.89 162.82 25.77 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.363 0.983 . . . . 1.06 111.091 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -36.17 -54.44 0.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.46 1.282 . . . . 1.51 114.46 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.73 -40.77 72.57 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.097 0.406 . . . . 0.65 112.097 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.448 0.299 . . . . 0.95 111.62 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -76.49 -30.84 57.41 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.428 0.691 . . . . 0.85 111.328 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -58.01 -55.11 39.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.795 0.438 . . . . 0.56 111.516 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.36 -19.94 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 123.16 0.287 . . . . 0.53 111.655 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -77.91 -36.79 49.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.195 0.598 . . . . 1.0 110.804 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 17.0 m -59.32 -37.74 78.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.758 0.423 . . . . 0.88 111.82 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.47 -35.73 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 122.232 0.213 . . . . 0.56 111.57 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -81.56 -12.7 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 112.345 0.498 . . . . 0.97 112.345 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.2 p -105.98 -33.59 7.87 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.839 0.681 . . . . 0.67 112.839 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -70.56 -37.7 74.04 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.326 0.491 . . . . 0.69 112.326 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -110.13 26.43 10.68 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.385 0.513 . . . . 1.02 112.385 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -76.92 -36.19 56.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.252 0.221 . . . . 3.08 110.503 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -58.75 -33.66 70.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.148 0.579 . . . . 1.37 111.825 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -88.12 -39.59 14.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.91 0.484 . . . . 1.54 111.426 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.45 85.24 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.486 0.921 . . . . 0.85 113.486 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -73.61 -20.51 60.58 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 113.349 0.87 . . . . 1.73 113.349 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -52.18 -47.54 65.48 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.606 0.762 . . . . 1.68 112.922 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.7 -169.72 1.88 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 122.586 0.354 . . . . 1.45 110.622 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.54 139.93 25.88 Favored Glycine 0 C--N 1.361 1.971 0 N-CA-C 114.625 0.61 . . . . 0.86 114.625 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 63.29 139.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.123 0.969 . . . . 2.62 111.834 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -76.08 -47.43 24.6 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.489 0.315 . . . . 1.11 111.721 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.93 52.81 1.18 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.9 0.381 . . . . 1.36 110.441 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.8 t -153.21 115.34 4.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.797 0.439 . . . . 1.13 110.644 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.65 147.32 37.6 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.264 0.225 . . . . 0.79 110.939 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -81.79 169.65 16.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.598 0.359 . . . . 0.69 111.503 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.98 -35.45 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 112.486 0.55 . . . . 0.71 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -107.33 39.59 1.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.73 0.3 . . . . 0.83 111.199 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.92 -48.08 2.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.474 0.31 . . . . 1.61 110.561 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.74 -34.07 77.03 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 122.983 0.177 . . . . 0.66 111.183 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -65.58 -40.48 92.78 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.483 0.313 . . . . 0.81 111.116 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.52 -31.99 71.63 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.271 0.229 . . . . 0.69 110.767 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.04 -35.87 66.81 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.484 0.314 . . . . 0.68 111.129 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.495 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 78.7 t -76.29 -22.99 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 122.465 0.306 . . . . 0.48 111.757 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -106.27 34.44 3.36 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 118.024 0.374 . . . . 0.83 111.197 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -161.19 -53.16 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.96 0.356 . . . . 0.98 111.96 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -107.62 -11.69 15.4 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.836 0.68 . . . . 0.73 112.836 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 2.2 tp -138.0 46.49 1.31 Allowed Pre-proline 0 CA--C 1.561 1.382 0 CA-C-N 118.138 0.427 . . . . 0.62 111.482 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.71 -36.46 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.63 2.22 . . . . 0.48 115.154 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -79.41 -19.78 49.17 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.055 0.761 . . . . 0.81 113.055 -178.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.5 tp -72.81 -60.7 2.11 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.057 0.389 . . . . 0.88 110.557 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -84.01 115.69 22.46 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.788 -0.819 . . . . 0.7 108.788 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.17 -36.01 65.41 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.015 0.746 . . . . 1.23 113.015 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.54 101.85 12.49 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 122.542 0.337 . . . . 1.94 110.575 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -88.15 -32.71 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 116.499 -0.319 . . . . 0.6 111.168 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.1 -35.73 8.0 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 119.806 -0.441 . . . . 0.67 112.711 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -90.52 73.84 6.84 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.142 0.471 . . . . 0.92 110.508 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -6.83 23.11 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.85 -0.614 . . . . 1.24 111.556 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.12 -27.45 69.09 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.367 0.506 . . . . 0.73 112.367 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.86 -42.14 98.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.684 0.393 . . . . 1.1 110.904 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.0 -26.01 21.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 119.381 -0.342 . . . . 1.47 111.611 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.33 -39.4 86.93 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.124 0.416 . . . . 0.81 112.124 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -69.13 -34.33 74.85 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.684 0.22 . . . . 2.39 110.53 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -71.32 -37.93 71.73 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 109.941 -0.392 . . . . 0.63 109.941 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' B' ' 79' ' ' LEU . 22.5 mt -68.11 -46.23 71.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.0 0.52 . . . . 0.69 111.17 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.95 72.71 9.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.84 0.352 . . . . 1.32 110.398 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.45 -35.08 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.72 110.807 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -80.58 -31.49 36.79 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.092 0.557 . . . . 1.38 110.811 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 59.95 79.31 0.24 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.058 0.943 . . . . 2.02 111.753 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.57 33.99 0.95 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.676 -0.693 . . . . 1.3 110.871 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m 68.5 -59.6 0.45 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.494 1.118 . . . . 1.35 112.507 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -73.7 157.4 36.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.739 0.415 . . . . 2.4 110.849 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.86 100.11 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.395 0.278 . . . . 1.13 110.263 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -65.32 162.88 16.59 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.647 0.379 . . . . 1.81 110.307 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -28.07 69.62 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 118.21 0.459 . . . . 1.23 111.27 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -69.06 -37.19 78.39 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.782 -0.451 . . . . 0.99 109.782 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.92 -28.69 25.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.889 0.476 . . . . 0.93 110.693 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.461 ' HA ' HD22 ' B' ' 63' ' ' LEU . 52.1 t80 -81.41 -6.09 58.57 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.298 0.639 . . . . 0.71 111.415 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -19.24 61.99 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.355 0.662 . . . . 1.54 112.535 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -65.82 -29.44 69.91 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.342 0.257 . . . . 2.15 111.614 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.1 tp -92.24 -37.21 12.8 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 119.458 -0.306 . . . . 0.49 110.491 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.91 -35.98 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 110.255 -0.276 . . . . 0.56 110.255 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.37 90.84 Favored Glycine 0 C--N 1.353 1.528 0 N-CA-C 111.516 -0.634 . . . . 0.42 111.516 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.48 -28.4 67.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.713 0.405 . . . . 0.91 110.986 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.68 -53.68 54.55 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.545 0.338 . . . . 0.69 110.533 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.87 57.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.09 0.774 . . . . 0.55 113.09 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.94 -44.27 11.15 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.12 0.418 . . . . 1.1 111.316 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.63 -14.71 61.66 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.795 0.665 . . . . 1.68 112.795 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -61.35 -43.14 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 117.895 0.316 . . . . 0.63 111.661 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.61 -33.69 18.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.001 0.371 . . . . 1.64 112.001 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -145.72 90.17 1.97 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.655 0.613 . . . . 1.65 112.655 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -35.41 25.0 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.038 -0.727 . . . . 2.03 109.038 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -132.81 84.48 2.14 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.289 -1.004 . . . . 1.36 108.289 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.28 65.62 4.5 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 121.309 0.576 . . . . 1.72 111.07 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 tp -161.8 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.533 -0.758 . . . . 1.27 110.685 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -91.1 -56.52 3.13 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.519 0.327 . . . . 1.61 110.498 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 pt -103.47 130.12 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 122.661 0.384 . . . . 1.04 110.383 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.92 9.58 5.38 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.076 0.769 . . . . 2.42 113.076 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 119.46 3.84 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 117.959 0.345 . . . . 1.86 111.386 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.173 -0.918 . . . . 1.85 110.584 179.33 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.068 0.461 . . . . 2.71 111.538 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.74 170.21 20.31 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.191 -0.459 . . . . 1.02 111.897 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.32 98.37 9.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.885 0.474 . . . . 0.7 111.057 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -113.67 133.21 22.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 122.843 0.457 . . . . 1.02 110.593 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.07 147.5 21.0 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.972 2.448 . . . . 0.74 114.137 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.7 mt -138.93 -69.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.836 0.454 . . . . 1.19 111.041 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.6 p -107.13 174.49 5.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.098 0.559 . . . . 0.98 110.695 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.68 -45.55 91.75 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.453 0.538 . . . . 1.42 112.453 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.31 -39.67 62.72 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.592 0.219 . . . . 0.65 111.592 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.03 -34.09 77.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 110.35 -0.241 . . . . 1.03 110.35 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.03 -31.3 70.87 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 122.801 0.44 . . . . 0.81 111.198 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -63.47 -58.07 8.21 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.816 0.28 . . . . 0.63 111.125 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.08 -27.69 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 111.933 0.345 . . . . 0.56 111.933 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -71.75 -41.5 68.35 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.03 0.532 . . . . 1.0 110.786 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -61.23 -34.49 75.21 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.941 0.497 . . . . 0.77 111.825 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.8 t -69.32 -31.9 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 117.767 0.258 . . . . 0.5 110.85 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.71 -50.2 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.69 0.396 . . . . 0.95 110.444 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -59.99 -46.44 89.47 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.202 1.186 . . . . 0.62 114.202 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -64.43 -42.73 95.86 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.438 0.903 . . . . 0.66 113.438 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -87.64 -32.33 19.33 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.375 0.88 . . . . 0.95 113.375 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.72 -16.87 64.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.73 0.641 . . . . 3.17 112.73 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -61.98 -32.59 73.06 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 117.68 0.218 . . . . 1.37 110.633 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -105.26 -26.62 11.95 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.101 0.561 . . . . 1.55 111.806 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -20.89 61.74 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.546 0.943 . . . . 0.83 113.546 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -68.17 -14.27 62.85 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.196 0.813 . . . . 1.55 113.196 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -71.34 -44.47 65.0 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.398 0.518 . . . . 1.8 112.398 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.13 -178.04 6.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.314 0.246 . . . . 1.59 111.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.8 133.3 40.38 Favored Glycine 0 C--N 1.36 1.872 0 N-CA-C 114.325 0.49 . . . . 0.92 114.325 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 65.11 134.98 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.189 0.996 . . . . 2.6 112.173 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.35 -29.52 34.08 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.069 -0.514 . . . . 1.22 111.483 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -84.12 -13.7 52.27 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.917 0.487 . . . . 1.43 112.141 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 72' ' ' LYS . 22.6 t -97.89 152.87 18.77 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 112.442 0.534 . . . . 1.09 112.442 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.16 152.5 20.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.587 -0.733 . . . . 0.76 109.765 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 t -83.06 147.88 27.87 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 110.336 -0.246 . . . . 0.68 110.336 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.66 -22.37 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 113.404 0.89 . . . . 0.64 113.404 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -101.07 -29.32 12.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.259 0.466 . . . . 0.82 112.259 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.1 -37.53 66.69 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 112.26 0.467 . . . . 1.54 112.26 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -66.19 -38.25 87.55 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.691 0.223 . . . . 0.65 110.603 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.45 -40.01 92.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.564 0.346 . . . . 0.87 110.841 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.09 -34.32 77.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.411 0.284 . . . . 0.73 111.093 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.48 -37.94 88.3 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.723 0.409 . . . . 0.65 110.807 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.98 -32.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.955 0.502 . . . . 0.45 111.425 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -100.76 28.69 4.99 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 122.403 0.281 . . . . 0.8 111.678 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -153.48 -58.38 0.13 Allowed 'General case' 0 C--N 1.36 1.043 0 N-CA-C 112.151 0.426 . . . . 1.1 112.151 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -104.06 -14.99 15.71 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.444 0.905 . . . . 0.84 113.444 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.52 51.69 5.23 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 118.165 0.439 . . . . 0.67 112.151 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -85.41 -32.86 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.232 1.954 . . . . 0.52 114.782 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -69.27 -39.64 78.27 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.51 0.559 . . . . 0.85 112.51 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.61 -56.07 16.28 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.565 0.346 . . . . 0.87 111.517 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.2 mt -93.5 106.08 18.08 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.408 -0.59 . . . . 0.73 109.408 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -60.79 -29.22 69.31 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.581 0.586 . . . . 1.32 112.581 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.32 71.65 5.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 122.397 0.279 . . . . 2.08 111.351 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.5 -38.21 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 116.915 -0.13 . . . . 0.71 111.175 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.64 -28.55 18.75 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-O 119.782 -0.455 . . . . 0.83 112.732 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -99.17 53.08 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-O 121.009 0.433 . . . . 0.85 110.883 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -17.19 38.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.79 0.436 . . . . 1.22 111.379 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.86 -32.79 33.62 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.612 0.968 . . . . 0.77 113.612 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.07 -39.7 93.32 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.876 0.307 . . . . 1.09 110.889 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.71 -30.92 18.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.554 0.342 . . . . 1.55 111.191 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.4 ttp -58.48 -40.23 82.16 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.912 0.485 . . . . 0.84 111.476 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -66.79 -34.46 77.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 122.993 0.183 . . . . 2.56 110.902 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 m -71.09 -34.97 71.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.911 0.484 . . . . 0.61 111.796 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 79' ' ' LEU . 80.1 mt -67.79 -59.17 3.52 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.389 0.276 . . . . 0.68 111.129 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.21 74.6 10.42 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 121.083 0.468 . . . . 1.39 110.558 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.35 -27.25 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 CA-C-N 115.633 -0.712 . . . . 0.73 111.032 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.73 -19.72 63.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.37 0.668 . . . . 1.44 112.335 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 61.79 60.06 1.65 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.843 0.857 . . . . 1.96 112.175 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -144.02 16.4 1.74 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.148 -0.478 . . . . 1.41 112.034 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.1 m 55.39 29.84 13.84 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 113.215 0.82 . . . . 1.31 113.215 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.58 116.92 16.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.887 0.475 . . . . 2.42 110.058 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.89 77.31 1.84 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.758 0.313 . . . . 0.95 111.556 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 7.1 ttpm? -68.96 159.43 32.75 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 118.683 -0.675 . . . . 1.89 109.753 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -28.67 48.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.905 0.705 . . . . 1.2 112.905 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.07 -32.77 73.34 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 109.824 -0.436 . . . . 0.98 109.824 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.25 -40.15 11.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.921 0.888 . . . . 1.03 110.762 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.71 ' HA ' HD22 ' A' ' 63' ' ' LEU . 44.4 t80 -68.59 -16.36 63.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.852 0.861 . . . . 0.69 111.709 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -27.55 16.18 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.788 0.835 . . . . 1.62 112.387 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.635 ' HB2' HD23 ' A' ' 63' ' ' LEU . 13.7 mmm-85 -62.15 -34.51 76.53 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.884 0.473 . . . . 1.96 111.343 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.736 ' HB2' HD21 ' A' ' 63' ' ' LEU . 22.3 tp -88.93 -28.92 19.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.337 0.255 . . . . 0.53 110.508 178.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mm -59.79 -37.42 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.842 0.457 . . . . 0.61 110.469 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.88 87.63 Favored Glycine 0 C--N 1.354 1.531 0 N-CA-C 111.598 -0.601 . . . . 0.47 111.598 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -22.94 62.9 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.77 0.428 . . . . 0.86 111.249 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.51 -43.52 89.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.379 0.672 . . . . 0.67 111.004 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . . . -93.94 -18.55 21.81 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.732 0.641 . . . . 0.55 112.732 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -77.5 -48.6 16.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.821 0.282 . . . . 0.96 110.786 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.09 -30.94 69.57 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.447 0.906 . . . . 1.65 113.447 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -38.59 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 118.894 0.77 . . . . 0.66 111.517 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -102.24 10.2 39.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.719 0.637 . . . . 1.74 112.719 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt 179.76 63.89 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.394 0.678 . . . . 1.52 111.288 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -42.48 29.24 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 122.382 -0.199 . . . . 1.87 111.115 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.57 65.79 1.33 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.449 -0.945 . . . . 1.53 108.449 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.29 68.09 0.73 Allowed 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 121.262 0.553 . . . . 1.81 111.517 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.34 -48.71 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.876 0.871 . . . . 1.24 109.932 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -87.89 -55.05 3.93 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.103 0.561 . . . . 1.73 110.732 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 pt -115.29 138.7 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 1.06 110.064 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -143.36 37.93 1.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.313 0.486 . . . . 2.26 112.313 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 90.76 0.4 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.329 0.252 . . . . 1.74 111.451 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 tttp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.018 0.437 . . . . 1.71 110.609 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 112.472 0.545 . . . . 1.75 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 160.44 14.53 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.821 0.448 . . . . 0.78 110.57 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.565 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -93.17 111.11 22.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.124 0.169 . . . . 0.69 111.429 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -104.48 142.29 24.31 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.046 0.539 . . . . 1.1 111.573 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.11 128.85 30.32 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.203 2.602 . . . . 0.83 114.121 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -135.19 -153.3 0.51 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.294 0.638 . . . . 1.24 110.509 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -56.41 159.8 3.46 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.915 0.78 . . . . 1.06 110.796 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.17 -46.78 12.29 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.558 0.947 . . . . 1.51 113.558 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.35 -41.36 73.25 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.811 0.301 . . . . 0.65 111.811 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.77 -24.48 60.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.565 0.346 . . . . 0.95 111.515 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -84.1 -31.19 25.41 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.464 0.706 . . . . 0.85 111.448 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -59.26 -51.54 69.51 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.858 0.299 . . . . 0.56 110.955 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.423 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -69.82 -23.87 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 111.948 0.351 . . . . 0.53 111.948 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.565 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 0.9 OUTLIER -72.97 -38.23 66.78 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.995 0.518 . . . . 1.0 111.061 178.371 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -59.07 -35.68 73.78 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.41 0.522 . . . . 0.88 112.41 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.65 -31.06 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 122.311 0.244 . . . . 0.56 110.683 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 50.3 t -74.34 -58.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.015 0.526 . . . . 0.97 110.686 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -58.6 -35.61 72.72 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.822 1.045 . . . . 0.67 113.822 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -42.15 82.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 119.373 -0.346 . . . . 0.69 111.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -111.11 26.07 11.09 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.087 0.773 . . . . 1.02 113.087 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -80.55 -40.38 26.01 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.422 0.556 . . . . 3.08 109.897 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 28.6 m -59.9 -31.21 69.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.861 0.464 . . . . 1.37 111.004 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.34 -32.84 19.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.737 0.415 . . . . 1.54 111.039 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.68 -23.96 58.71 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.792 0.664 . . . . 0.85 112.792 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -86.3 5.11 36.06 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 112.832 0.678 . . . . 1.73 112.832 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.02 -44.4 20.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.552 0.341 . . . . 1.68 111.503 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -107.81 176.72 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.719 0.408 . . . . 1.45 111.219 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.2 123.61 0.01 OUTLIER Glycine 0 C--N 1.362 2.0 0 N-CA-C 116.736 1.454 . . . . 0.86 116.736 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 65.28 146.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.333 1.053 . . . . 2.62 112.616 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -80.77 -36.0 32.45 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.115 -0.493 . . . . 1.11 110.512 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.59 46.59 0.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.012 0.525 . . . . 1.36 110.104 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.72 139.0 18.41 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.959 0.504 . . . . 1.13 110.878 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.2 153.23 18.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.892 0.477 . . . . 0.79 110.624 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -83.88 164.67 19.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.279 0.232 . . . . 0.69 110.676 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.95 -27.4 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 112.54 0.57 . . . . 0.71 112.54 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -95.45 -32.45 12.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.179 0.437 . . . . 0.83 112.179 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.18 -41.07 77.67 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.738 0.644 . . . . 1.61 112.738 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.57 -35.87 79.85 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 111.52 0.193 . . . . 0.66 111.52 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.711 0.404 . . . . 0.81 110.819 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.06 -32.71 74.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.533 0.333 . . . . 0.69 110.777 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.73 -37.65 70.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.874 0.47 . . . . 0.68 111.003 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.39 -29.12 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.609 0.364 . . . . 0.48 111.091 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.22 40.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.641 0.257 . . . . 0.83 111.103 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -159.85 -57.15 0.06 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 122.255 -0.278 . . . . 0.98 111.521 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -109.21 -13.38 14.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.462 0.542 . . . . 0.73 112.462 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 tp -133.29 42.54 0.86 Allowed Pre-proline 0 CA--C 1.566 1.591 0 N-CA-C 112.417 0.525 . . . . 0.62 112.417 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.09 -38.3 0.45 Allowed 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.069 1.846 . . . . 0.48 114.799 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -72.61 -22.21 61.0 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.525 0.565 . . . . 0.81 112.525 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 tp -73.03 -64.88 0.88 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 117.844 0.293 . . . . 0.88 110.785 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.33 99.59 12.09 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.682 -0.859 . . . . 0.7 108.682 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -45.86 -41.41 11.18 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.327 0.862 . . . . 1.23 113.327 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -91.32 85.2 5.74 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 110.223 -0.288 . . . . 1.94 110.223 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.76 -30.5 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 112.319 0.488 . . . . 0.6 112.319 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.76 -48.09 6.36 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.695 -0.503 . . . . 0.67 113.393 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -99.69 63.04 1.21 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 117.037 0.419 . . . . 0.92 110.691 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -95.41 67.87 2.95 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.937 -0.764 . . . . 1.24 108.937 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.15 -32.85 5.21 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.171 -0.922 . . . . 0.73 111.403 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.45 -40.29 86.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.663 0.385 . . . . 1.1 110.876 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.66 -42.9 23.82 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 122.585 0.354 . . . . 1.47 110.289 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . 0.516 ' HA ' HD12 ' B' ' 63' ' ' LEU . 42.9 ttp -49.84 -38.24 34.13 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.922 0.712 . . . . 0.81 112.922 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -73.2 -40.58 64.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.231 0.212 . . . . 2.39 111.105 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -71.42 -25.58 62.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.73 0.412 . . . . 0.63 111.392 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.537 HD11 HD13 ' B' ' 79' ' ' LEU . 52.6 mt -72.38 -61.83 1.66 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.885 0.474 . . . . 0.69 110.674 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -90.05 84.23 6.14 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.753 0.421 . . . . 1.32 109.972 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 p -89.54 -21.27 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.672 -0.695 . . . . 0.72 111.971 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -76.0 -21.0 57.37 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 112.628 0.603 . . . . 1.38 112.628 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.88 61.0 1.73 Allowed 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.475 0.71 . . . . 2.02 111.313 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.36 15.44 2.58 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.328 0.492 . . . . 1.3 112.328 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 60.32 27.66 17.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.507 0.723 . . . . 1.35 112.686 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -134.73 127.22 30.56 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.655 0.382 . . . . 2.4 110.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.55 73.44 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.983 0.42 . . . . 1.13 110.38 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.06 171.32 1.29 Allowed 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.019 -0.734 . . . . 1.81 109.019 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 84' ' ' ALA . 1.2 t80 -65.79 -19.75 66.0 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.492 1.042 . . . . 1.23 111.693 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -77.42 -32.01 54.4 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.547 -0.538 . . . . 0.99 109.547 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -86.2 -43.8 12.7 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.639 0.776 . . . . 0.93 110.068 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.414 ' HA ' HD22 ' B' ' 63' ' ' LEU . 11.3 t80 -69.48 -13.95 62.62 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.845 0.858 . . . . 0.71 111.271 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -39.39 -40.08 0.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.602 1.561 . . . . 1.54 113.185 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.446 ' HB2' HD23 ' B' ' 63' ' ' LEU . 2.5 mmt-85 -69.57 -32.1 70.67 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.752 1.019 . . . . 2.15 113.752 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.537 HD13 HD11 ' B' ' 63' ' ' LEU . 3.8 tp -75.59 -35.84 60.47 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.753 0.706 . . . . 0.49 111.682 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.3 mm -61.57 -38.17 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.185 -0.672 . . . . 0.56 109.185 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.63 -43.37 52.4 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 111.44 -0.664 . . . . 0.42 111.44 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.01 -22.42 62.16 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.495 0.318 . . . . 0.91 111.491 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -52.41 63.85 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.994 0.518 . . . . 0.69 109.791 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.541 ' O ' HG22 ' B' ' 87' ' ' ILE . . . -77.13 -29.3 54.66 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.929 -0.578 . . . . 0.55 111.899 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.46 -27.47 65.26 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.76 0.254 . . . . 1.1 110.87 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -100.62 31.18 3.59 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 122.628 0.371 . . . . 1.68 111.927 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.541 HG22 ' O ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -111.4 -37.11 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.999 0.519 . . . . 0.63 110.422 178.218 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -43.41 2.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 122.683 0.393 . . . . 1.64 111.267 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -104.89 41.68 1.31 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 112.045 0.387 . . . . 1.65 112.045 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -38.53 66.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.437 0.295 . . . . 2.03 111.012 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -141.71 70.6 1.34 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.397 0.679 . . . . 1.36 109.466 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.95 -24.96 67.31 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.716 1.006 . . . . 1.72 113.716 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 mp -87.21 -44.45 11.45 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.375 0.509 . . . . 1.27 112.375 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -75.28 -60.66 2.2 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.193 0.442 . . . . 1.61 112.193 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.7 pt -109.68 143.1 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.777 0.431 . . . . 1.04 111.234 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -149.23 30.82 0.76 Allowed 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 113.685 0.994 . . . . 2.42 113.685 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -164.84 78.45 0.33 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.071 0.463 . . . . 1.86 111.547 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.054 -0.974 . . . . 1.85 110.67 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.292 0.567 . . . . 2.71 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.31 152.68 39.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.487 -0.779 . . . . 1.02 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB3' HG23 ' A' ' 18' ' ' THR . . . -86.56 108.06 18.41 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.709 -0.223 . . . . 0.7 111.261 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -127.88 143.71 48.73 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 123.213 0.605 . . . . 1.02 110.691 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.2 145.82 15.46 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.636 2.224 . . . . 0.74 114.144 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -139.51 -62.03 0.53 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.081 0.552 . . . . 1.19 111.904 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -117.77 163.58 16.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.561 0.744 . . . . 0.98 110.544 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.72 -49.5 70.6 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.67 0.619 . . . . 1.42 112.67 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.36 -37.58 63.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 117.918 0.326 . . . . 0.65 111.68 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -63.68 -38.35 90.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.262 0.225 . . . . 1.03 110.434 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.07 -35.76 80.53 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.483 0.713 . . . . 0.81 111.644 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -55.68 -57.03 13.68 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.346 0.258 . . . . 0.63 111.14 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -71.71 -21.57 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 112.222 0.453 . . . . 0.56 112.222 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.19 -36.26 35.18 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.132 0.573 . . . . 1.0 111.979 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.67 -33.69 76.54 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.432 0.293 . . . . 0.77 111.686 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.38 -33.98 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.545 0.338 . . . . 0.5 111.048 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.53 -45.84 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 119.299 -0.381 . . . . 0.95 111.357 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.711 0.634 . . . . 0.62 112.711 -179.52 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -62.46 -42.1 99.24 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 111.577 0.214 . . . . 0.66 111.577 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -112.33 42.8 1.73 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.683 0.278 . . . . 0.95 111.071 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -91.92 -41.75 10.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.783 0.433 . . . . 3.17 110.342 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -61.81 -34.24 75.56 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.14 0.576 . . . . 1.37 111.506 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -79.19 -38.18 36.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.509 0.324 . . . . 1.55 111.134 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.25 71.32 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.787 0.662 . . . . 0.83 112.787 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -79.48 -11.86 59.89 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 112.339 0.496 . . . . 1.55 112.339 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.35 -46.39 83.68 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.334 0.254 . . . . 1.8 111.086 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -93.07 -179.88 5.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.669 0.388 . . . . 1.59 110.606 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.24 139.11 26.19 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.501 0.961 . . . . 0.92 115.501 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 68.06 137.6 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.649 1.18 . . . . 2.6 112.409 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -74.52 -37.7 63.0 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.233 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -97.91 44.99 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.661 0.384 . . . . 1.43 110.423 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 t -146.84 141.1 26.27 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 112.323 0.49 . . . . 1.09 112.323 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -101.99 160.84 14.15 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.244 -0.65 . . . . 0.76 109.244 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -97.0 162.6 13.31 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.634 0.235 . . . . 0.68 111.634 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.01 -31.37 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.039 0.536 . . . . 0.64 112.085 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -91.83 -30.67 16.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.817 0.447 . . . . 0.82 110.945 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -69.51 -36.46 76.49 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.381 0.511 . . . . 1.54 112.381 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -38.36 71.83 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.882 -0.414 . . . . 0.65 109.882 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.02 -39.96 95.27 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 122.739 0.416 . . . . 0.87 110.783 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.21 -31.6 70.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.568 0.347 . . . . 0.73 110.736 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.0 -32.16 70.2 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.752 0.421 . . . . 0.65 111.612 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.8 t -82.83 -26.17 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.159 0.583 . . . . 0.45 111.419 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.05 32.99 4.2 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.787 0.292 . . . . 0.8 111.787 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -157.65 -58.74 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 O-C-N 122.03 -0.419 . . . . 1.1 112.109 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -104.25 -12.54 16.59 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.541 0.571 . . . . 0.84 112.541 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.09 44.72 1.1 Allowed Pre-proline 0 CA--C 1.567 1.606 0 N-CA-C 112.457 0.54 . . . . 0.67 112.457 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -82.87 -28.66 1.56 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 122.592 2.195 . . . . 0.52 114.614 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -76.27 -27.4 56.67 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.485 0.55 . . . . 0.85 112.485 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.66 -62.71 1.32 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.614 0.188 . . . . 0.87 111.157 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -85.56 110.88 19.54 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 108.932 -0.766 . . . . 0.73 108.932 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -31.8 69.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.57 0.581 . . . . 1.32 112.57 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.14 92.16 8.84 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.481 -0.563 . . . . 2.08 109.481 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.24 -18.09 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 112.89 0.7 . . . . 0.71 112.89 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.2 -60.46 0.75 Allowed Glycine 0 C--N 1.355 1.62 0 CA-C-N 117.932 0.333 . . . . 0.83 113.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 t -83.66 88.81 7.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.956 0.354 . . . . 0.85 111.956 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.74 27.86 8.06 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.408 . . . . 1.22 111.383 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.04 -26.23 63.0 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 122.096 -0.377 . . . . 0.77 111.537 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.1 -36.09 72.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.714 0.406 . . . . 1.09 111.339 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -94.37 -22.76 18.12 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.308 0.484 . . . . 1.55 112.308 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 51.0 ttp -65.25 -43.07 92.51 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.341 0.519 . . . . 0.84 110.643 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -69.87 -34.93 74.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.226 0.329 . . . . 2.56 110.388 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.6 m -69.37 -36.23 76.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.771 0.429 . . . . 0.61 110.574 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 79' ' ' LEU . 20.8 mt -66.61 -61.66 1.86 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.192 0.597 . . . . 0.68 110.705 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.43 82.43 8.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.661 0.384 . . . . 1.39 110.979 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -96.95 -26.73 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.101 -0.499 . . . . 0.73 110.973 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -77.71 -33.48 53.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.212 0.605 . . . . 1.44 111.507 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 68.64 58.89 0.39 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.313 1.045 . . . . 1.96 112.434 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.0 14.7 5.23 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.907 -0.588 . . . . 1.41 111.157 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t 76.53 -52.78 0.59 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.413 1.085 . . . . 1.31 112.199 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.73 125.16 28.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.493 0.317 . . . . 2.42 111.232 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -90.68 88.74 7.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.436 0.295 . . . . 0.95 110.505 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -66.21 165.1 14.41 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 119.358 -0.353 . . . . 1.89 110.443 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.9 -25.04 60.29 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.314 0.506 . . . . 1.2 112.325 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -72.09 -30.3 64.96 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.799 -0.445 . . . . 0.98 109.799 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -37.12 22.68 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.366 0.666 . . . . 1.03 109.801 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.27 -21.44 61.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.1 0.56 . . . . 0.69 110.788 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -51.02 -35.35 33.75 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.74 1.216 . . . . 1.62 112.986 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -63.37 -39.43 94.5 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.262 0.467 . . . . 1.96 112.262 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.446 ' HB2' HD21 ' A' ' 63' ' ' LEU . 25.5 tp -74.02 -26.02 60.2 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.536 -0.268 . . . . 0.53 111.475 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.9 mm -65.44 -34.66 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 110.143 -0.317 . . . . 0.61 110.143 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.51 -47.24 91.77 Favored Glycine 0 C--N 1.358 1.765 0 N-CA-C 112.497 -0.241 . . . . 0.47 112.497 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.07 -17.11 57.4 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.768 0.427 . . . . 0.86 111.876 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -61.37 -50.07 74.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.505 0.722 . . . . 0.67 111.445 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.608 ' HB3' ' CZ ' ' B' ' 73' ' ' PHE . . . -88.66 -16.67 31.78 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.181 0.437 . . . . 0.55 112.181 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -78.16 -26.76 47.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.564 0.346 . . . . 0.96 111.289 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.65 -15.19 24.19 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.603 0.964 . . . . 1.65 113.603 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -61.67 -38.56 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 118.913 0.779 . . . . 0.66 111.618 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -97.78 -35.5 10.51 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.175 0.435 . . . . 1.74 112.175 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -137.77 68.98 1.4 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.387 0.514 . . . . 1.52 112.387 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -34.56 77.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 122.3 -0.25 . . . . 1.87 110.609 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -131.62 85.06 2.22 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.65 -0.87 . . . . 1.53 108.65 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.92 70.76 5.31 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 1.81 111.996 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 tp -176.44 -46.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.503 -0.771 . . . . 1.24 110.579 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -85.05 -53.46 5.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.126 0.571 . . . . 1.73 110.86 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.47 132.89 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 122.99 0.516 . . . . 1.06 110.855 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -145.52 40.61 1.21 Allowed 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.717 0.636 . . . . 2.26 112.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -168.79 94.49 0.34 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.045 0.45 . . . . 1.74 111.344 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-N 116.312 -0.404 . . . . 1.71 110.313 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.479 0.548 . . . . 1.75 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.72 129.58 42.72 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 122.675 0.39 . . . . 0.78 111.079 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.544 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -71.65 108.38 4.97 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.628 -0.26 . . . . 0.69 111.525 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -98.35 143.31 26.06 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.21 0.604 . . . . 1.1 110.978 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -59.16 129.37 31.34 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.918 2.412 . . . . 0.83 113.725 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 mt -133.45 -133.98 0.17 Allowed 'General case' 0 CA--C 1.564 1.496 0 CA-C-O 118.948 -0.548 . . . . 1.24 110.557 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -68.12 163.32 22.8 Favored 'General case' 0 C--N 1.368 1.381 0 CA-C-N 119.172 0.896 . . . . 1.06 110.866 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.32 -43.07 53.66 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.035 0.754 . . . . 1.51 113.035 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.83 -41.94 58.96 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.712 0.233 . . . . 0.65 110.952 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.62 -30.67 68.45 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.745 0.418 . . . . 0.95 110.976 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.99 -31.43 62.96 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.553 0.741 . . . . 0.85 111.355 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -61.78 -53.5 55.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.527 0.331 . . . . 0.56 111.081 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.31 -21.1 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 122.443 0.297 . . . . 0.53 111.463 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.544 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 5.2 tm-20 -78.52 -37.68 42.43 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.388 0.675 . . . . 1.0 110.811 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 26.8 m -57.57 -39.55 77.0 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.995 0.518 . . . . 0.88 111.551 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.72 -29.1 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.495 0.318 . . . . 0.56 111.064 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.4 -22.7 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.969 0.507 . . . . 0.97 111.823 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 30.6 p -97.62 -11.66 23.34 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.865 0.691 . . . . 0.67 112.865 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -98.39 -56.76 2.37 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.188 0.44 . . . . 0.69 112.188 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' B' ' 41' ' ' LEU . 67.5 t80 -94.73 -41.63 9.16 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.81 1.041 . . . . 1.02 113.81 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.08 -16.69 20.48 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.137 0.791 . . . . 3.08 113.137 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -68.98 -39.39 79.42 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.719 -0.475 . . . . 1.37 109.719 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -83.28 -16.0 47.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.268 0.627 . . . . 1.54 111.834 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 5.29 20.0 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.13 1.159 . . . . 0.85 114.13 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -81.85 -1.11 46.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.451 0.537 . . . . 1.73 112.451 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -64.11 -50.77 66.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.713 0.405 . . . . 1.68 112.082 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.03 -178.98 6.68 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 110.34 -0.245 . . . . 1.45 110.34 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.66 143.6 17.83 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.692 0.637 . . . . 0.86 114.692 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? 66.79 148.52 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.088 0.955 . . . . 2.62 112.795 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -91.84 -37.67 12.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.817 -0.629 . . . . 1.11 110.114 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -90.01 52.79 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.427 0.632 . . . . 1.36 110.408 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.5 p -152.57 156.95 40.32 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.576 -0.738 . . . . 1.13 110.584 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.61 132.69 53.98 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.675 -0.491 . . . . 0.79 109.675 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.5 t -64.1 143.94 57.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.453 0.301 . . . . 0.69 111.788 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.53 -21.73 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 113.196 0.814 . . . . 0.71 113.196 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -97.2 -32.74 11.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.602 0.361 . . . . 0.83 111.646 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.48 -33.08 48.47 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.156 0.799 . . . . 1.61 113.156 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -65.51 -33.09 75.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.483 0.583 . . . . 0.66 111.619 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.47 -38.6 74.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 0.81 111.009 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.35 -29.43 61.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.42 0.288 . . . . 0.69 111.42 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' B' ' 20' ' ' PHE . 50.4 tp -63.33 -44.61 94.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.584 0.353 . . . . 0.68 111.054 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.94 -20.17 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.853 0.461 . . . . 0.48 111.832 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -89.12 -19.01 26.07 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.683 0.623 . . . . 0.83 112.683 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -113.94 -57.48 2.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.974 0.731 . . . . 0.98 112.974 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -96.49 -11.0 26.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.135 1.161 . . . . 0.73 114.135 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.422 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 tp -136.98 42.48 0.67 Allowed Pre-proline 0 CA--C 1.566 1.563 0 CA-C-N 119.067 0.849 . . . . 0.62 112.888 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 96.5 Cg_endo -82.41 -37.25 0.23 Allowed 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.255 1.97 . . . . 0.48 114.374 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -68.21 -34.23 75.87 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.341 0.497 . . . . 0.81 112.341 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 tp -68.44 -63.59 1.03 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.836 0.454 . . . . 0.88 111.17 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.67 109.62 19.31 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.7 109.318 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -57.31 -33.06 67.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.849 0.46 . . . . 1.23 112.144 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.46 84.25 7.72 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.759 -0.46 . . . . 1.94 109.759 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.76 -31.04 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 N-CA-C 112.812 0.671 . . . . 0.6 112.812 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.2 -41.7 5.46 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.038 -0.312 . . . . 0.67 113.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.9 t -100.97 81.73 2.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.602 0.361 . . . . 0.92 110.953 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.08 1.58 47.14 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.439 0.533 . . . . 1.24 112.439 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.36 -30.48 62.72 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.007 0.743 . . . . 0.73 113.007 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -70.16 -39.84 75.09 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 122.356 0.263 . . . . 1.1 111.02 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.451 ' HB3' HD13 ' B' ' 79' ' ' LEU . 4.0 mptt -110.75 58.02 0.61 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.336 0.589 . . . . 1.47 109.683 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -141.89 -53.88 0.44 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.326 -0.852 . . . . 0.81 109.407 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -74.73 -34.53 62.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.752 0.421 . . . . 2.39 109.946 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 27.2 m -67.87 -34.76 77.3 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.111 0.564 . . . . 0.63 111.055 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' B' ' 79' ' ' LEU . 82.4 mt -68.17 -67.51 0.46 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.259 0.349 . . . . 0.69 110.456 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.07 86.56 4.89 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.944 0.402 . . . . 1.32 110.006 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -20.81 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 115.642 -0.708 . . . . 0.72 112.156 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.853 0.686 . . . . 1.38 112.853 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.67 53.39 6.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.197 0.599 . . . . 2.02 111.221 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.39 6.57 10.13 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.244 -0.435 . . . . 1.3 112.088 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.5 m 61.36 24.4 14.51 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.567 0.747 . . . . 1.35 112.24 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -141.92 107.49 5.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.538 0.735 . . . . 2.4 109.186 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.26 90.29 7.51 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.658 0.244 . . . . 1.13 111.658 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -70.98 -179.5 2.31 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.578 -0.897 . . . . 1.81 108.578 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 84' ' ' ALA . 1.7 t80 -71.07 -27.09 63.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.001 0.819 . . . . 1.23 111.428 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.68 -26.33 63.38 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 110.011 -0.366 . . . . 0.99 110.011 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.73 -47.39 7.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.5 0.72 . . . . 0.93 110.478 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.531 ' HA ' HD22 ' B' ' 63' ' ' LEU . 20.6 t80 -69.07 -14.83 63.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.458 0.703 . . . . 0.71 112.308 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -48.96 -31.42 7.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.342 1.057 . . . . 1.54 112.799 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.638 ' HB2' HD23 ' B' ' 63' ' ' LEU . 4.1 mmm-85 -63.79 -27.36 69.13 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.576 0.584 . . . . 2.15 112.576 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.682 ' HB2' HD21 ' B' ' 63' ' ' LEU . 13.3 tp -92.36 -33.19 14.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.076 0.398 . . . . 0.49 111.374 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -57.84 -39.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 109.987 -0.375 . . . . 0.56 109.987 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.47 -41.3 77.49 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 110.631 -0.987 . . . . 0.42 110.631 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.87 -24.25 66.82 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 122.778 0.431 . . . . 0.91 111.227 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.89 -53.7 46.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.146 -0.316 . . . . 0.69 110.146 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.88 -15.67 56.91 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.492 0.553 . . . . 0.55 112.492 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -86.8 -34.85 19.43 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.104 0.411 . . . . 1.1 110.653 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -91.18 31.22 1.14 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.645 0.378 . . . . 1.68 111.761 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.425 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.1 OUTLIER -104.67 -36.92 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.211 0.605 . . . . 0.63 109.791 178.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -115.75 -42.4 3.11 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.59 0.756 . . . . 1.64 111.443 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -105.55 42.11 1.28 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.607 0.241 . . . . 1.65 111.609 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.35 -43.11 61.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.687 -0.486 . . . . 2.03 109.687 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -131.95 61.27 1.66 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.94 -0.763 . . . . 1.36 108.94 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.45 70.95 3.07 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.57 0.7 . . . . 1.72 112.093 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -175.07 -45.9 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.134 -0.939 . . . . 1.27 109.368 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -82.23 -50.15 9.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.608 0.763 . . . . 1.61 110.237 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.65 148.19 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.073 0.549 . . . . 1.04 110.63 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -139.06 18.04 2.62 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.876 0.695 . . . . 2.42 112.876 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -160.01 110.23 1.86 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.081 0.4 . . . . 1.86 111.616 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 39.3 tttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.114 -0.946 . . . . 1.85 111.007 179.329 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 113.207 0.817 . . . . 2.71 113.207 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 156.44 18.04 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 117.961 0.346 . . . . 1.02 111.38 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' A' ' 14' ' ' GLU . . . -100.34 93.42 5.66 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 116.165 -0.471 . . . . 0.7 110.605 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.16 135.28 19.67 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 116.33 -0.395 . . . . 1.02 110.921 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.38 136.48 14.17 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.582 2.188 . . . . 0.74 113.066 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -132.21 -61.05 0.88 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.457 0.303 . . . . 1.19 111.126 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.0 167.85 10.18 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.566 -0.531 . . . . 0.98 109.566 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.93 -45.02 91.43 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.272 0.471 . . . . 1.42 112.272 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -72.22 -33.9 67.93 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.229 0.455 . . . . 0.65 112.229 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.85 -37.19 70.3 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.133 -0.321 . . . . 1.03 110.133 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.95 -28.52 65.64 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.235 0.614 . . . . 0.81 111.6 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -60.87 -53.4 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.865 0.466 . . . . 0.63 111.567 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -78.49 -17.43 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 112.057 0.392 . . . . 0.56 112.057 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 6.6 tm-20 -75.27 -34.61 61.36 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.238 0.615 . . . . 1.0 110.436 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.8 m -62.63 -35.13 78.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.242 0.617 . . . . 0.77 111.704 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.57 -28.85 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 122.37 0.268 . . . . 0.5 110.905 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -81.31 -55.4 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 122.853 0.461 . . . . 0.95 110.936 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -63.48 -35.34 80.15 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.931 1.085 . . . . 0.62 113.931 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.8 m -68.97 -41.87 77.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.394 0.516 . . . . 0.66 112.394 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -103.2 6.55 38.35 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.871 1.063 . . . . 0.95 113.871 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.42 -31.37 70.64 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.699 0.682 . . . . 3.17 110.938 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 m -57.94 -37.43 74.11 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.112 0.565 . . . . 1.37 112.351 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -95.14 -24.06 17.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.602 0.594 . . . . 1.55 112.602 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.27 -19.29 31.8 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.747 0.647 . . . . 0.83 112.747 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -79.44 -36.77 38.39 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.326 0.861 . . . . 1.55 113.326 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.36 -19.17 60.54 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.657 0.984 . . . . 1.8 113.657 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -133.91 118.27 17.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.446 0.566 . . . . 1.59 111.827 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.78 81.66 0.26 Allowed Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.53 -0.595 . . . . 0.92 114.426 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 58.12 172.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.599 0.76 . . . . 2.6 112.759 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.82 -47.24 9.23 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.621 -0.263 . . . . 1.22 111.226 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -98.34 46.29 1.0 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.923 0.392 . . . . 1.43 110.888 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -152.78 137.2 16.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.924 0.49 . . . . 1.09 110.628 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.54 160.15 17.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.6 0.36 . . . . 0.76 111.187 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -88.11 157.29 18.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.707 0.403 . . . . 0.68 110.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -73.48 -25.65 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 112.656 0.613 . . . . 0.64 112.656 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.64 -27.06 14.17 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.285 0.476 . . . . 0.82 112.285 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.91 -31.46 40.19 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.788 0.662 . . . . 1.54 112.788 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -66.29 -33.45 75.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.444 0.566 . . . . 0.65 111.195 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -65.81 -36.44 83.51 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.121 0.568 . . . . 0.87 110.733 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.59 -30.96 68.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.809 0.444 . . . . 0.73 110.909 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD11 HD11 ' B' ' 9' ' ' LEU . 21.7 tp -66.89 -32.62 74.0 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.774 0.429 . . . . 0.65 111.175 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.16 -23.71 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 122.898 0.479 . . . . 0.45 111.566 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -100.96 1.24 39.54 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 113.264 0.838 . . . . 0.8 113.264 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.52 -61.2 1.02 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.947 0.794 . . . . 1.1 112.575 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -97.02 -3.41 41.54 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.072 0.767 . . . . 0.84 113.072 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 56.61 3.52 Favored Pre-proline 0 CA--C 1.558 1.263 0 CA-C-N 118.192 0.451 . . . . 0.67 111.84 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -88.18 -32.07 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.252 1.968 . . . . 0.52 115.608 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -79.94 -15.97 56.21 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.63 0.974 . . . . 0.85 113.63 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.69 -56.63 4.36 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.264 0.484 . . . . 0.87 111.289 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.53 113.7 25.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.316 -0.624 . . . . 0.73 109.316 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -33.82 31.38 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 113.172 0.804 . . . . 1.32 113.172 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.25 93.73 8.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.606 0.362 . . . . 2.08 110.419 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.22 -32.33 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 116.46 -0.336 . . . . 0.71 111.631 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.47 -22.44 10.42 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.599 -0.556 . . . . 0.83 113.104 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -96.74 74.32 2.7 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 117.544 0.672 . . . . 0.85 111.475 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.75 13.5 34.26 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.982 0.513 . . . . 1.22 111.392 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.17 -36.64 74.82 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 117.962 0.346 . . . . 0.77 111.611 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.98 -28.15 65.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.441 0.296 . . . . 1.09 111.678 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.93 -45.52 9.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.361 0.264 . . . . 1.55 110.645 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 55.1 ttp -55.79 -33.5 64.44 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.645 0.609 . . . . 0.84 112.645 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -67.48 -42.68 82.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.239 0.215 . . . . 2.56 111.224 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -69.9 -32.72 71.18 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.089 0.243 . . . . 0.61 111.269 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.54 HD22 ' HA ' ' A' ' 76' ' ' TYR . 43.7 mt -72.43 -52.92 13.77 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.155 0.285 . . . . 0.68 110.815 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.17 63.39 8.08 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 120.935 0.398 . . . . 1.39 111.417 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.37 -31.47 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-N 116.288 -0.414 . . . . 0.73 110.269 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.65 -30.29 66.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.278 0.631 . . . . 1.44 110.758 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 64.17 78.68 0.28 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.269 1.028 . . . . 1.96 112.75 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -158.78 17.5 0.19 Allowed 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.698 0.629 . . . . 1.41 112.698 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 m 56.17 26.34 10.17 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.187 0.81 . . . . 1.31 113.187 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -135.96 98.72 3.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.69 0.396 . . . . 2.42 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -81.91 80.38 8.2 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.207 -0.451 . . . . 0.95 111.187 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -68.62 158.82 33.23 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.582 -0.895 . . . . 1.89 108.582 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -23.71 51.42 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 119.137 0.881 . . . . 1.2 113.013 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.89 -32.51 72.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 110.019 -0.363 . . . . 0.98 110.019 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.65 -40.13 9.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.604 0.762 . . . . 1.03 110.835 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.54 ' HA ' HD22 ' A' ' 63' ' ' LEU . 47.4 t80 -69.4 -10.83 59.7 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.028 0.931 . . . . 0.69 112.308 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -19.49 61.76 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.723 0.638 . . . . 1.62 112.723 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' A' ' 63' ' ' LEU . 1.5 mmt180 -70.66 -29.56 65.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.016 0.371 . . . . 1.96 111.623 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.497 ' HB2' HD21 ' A' ' 63' ' ' LEU . 21.1 tp -84.52 -32.99 23.6 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 119.466 -0.302 . . . . 0.53 110.358 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 76' ' ' TYR . 46.6 mm -68.29 -31.97 53.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 109.483 -0.562 . . . . 0.61 109.483 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.74 96.09 Favored Glycine 0 C--N 1.358 1.785 0 N-CA-C 111.36 -0.696 . . . . 0.47 111.36 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -80.28 -26.25 39.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.14 0.576 . . . . 0.86 110.095 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.41 -45.42 91.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.683 0.793 . . . . 0.67 111.428 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.071 0.397 . . . . 0.55 112.071 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -75.22 -31.38 60.85 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 119.611 -0.233 . . . . 0.96 111.531 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -97.24 32.24 2.25 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.062 0.764 . . . . 1.65 113.062 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 3' ' ' ALA . 0.2 OUTLIER -102.73 -40.31 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 108.427 -0.953 . . . . 0.66 108.427 176.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -32.88 12.62 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.467 0.707 . . . . 1.74 111.821 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -130.05 61.2 1.58 Allowed 'General case' 0 C--N 1.36 1.047 0 N-CA-C 112.503 0.557 . . . . 1.52 112.503 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -36.24 56.8 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.607 -0.516 . . . . 1.87 109.607 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -139.36 51.27 1.77 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.651 -0.87 . . . . 1.53 108.651 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -50.81 -34.08 26.17 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.149 1.166 . . . . 1.81 114.149 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.011 0.194 . . . . 1.24 111.52 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -97.88 -55.08 2.9 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.031 0.532 . . . . 1.73 111.527 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.46 131.12 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.245 0.618 . . . . 1.06 111.9 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -137.19 31.29 2.66 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.354 0.502 . . . . 2.26 112.354 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -159.71 94.08 1.12 Allowed 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.22 -0.3 . . . . 1.74 111.034 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.9 tttp . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.859 0.362 . . . . 1.71 110.679 -179.512 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 CA--C 1.549 0.927 0 CA-C-O 120.407 0.146 . . . . 1.75 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 143.06 47.31 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 122.809 0.443 . . . . 0.78 111.08 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.49 ' HA ' HD12 ' A' ' 87' ' ' ILE . . . -92.68 112.62 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.404 0.281 . . . . 0.69 111.378 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.93 132.54 26.87 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 122.767 0.427 . . . . 1.1 110.387 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.95 130.28 28.67 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.79 2.327 . . . . 0.83 113.359 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -132.41 -147.38 0.31 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.397 0.679 . . . . 1.24 110.513 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -57.66 161.85 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 119.28 0.946 . . . . 1.06 112.013 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.6 -48.49 7.62 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 113.957 1.095 . . . . 1.51 113.957 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 41' ' ' LEU . 91.2 mt -67.86 -42.69 80.93 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 117.899 0.318 . . . . 0.65 111.283 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.8 -28.37 65.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.457 0.303 . . . . 0.95 111.109 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.6 -27.49 60.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.218 0.607 . . . . 0.85 110.76 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -59.56 -48.86 80.0 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.005 0.522 . . . . 0.56 111.6 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.467 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.9 pp -78.87 -27.48 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 122.411 0.284 . . . . 0.53 111.536 178.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.467 ' N ' HD12 ' B' ' 13' ' ' ILE . 5.8 tm-20 -68.84 -41.34 78.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.349 0.66 . . . . 1.0 110.852 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 15.5 p -61.54 -32.0 72.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.791 0.437 . . . . 0.88 112.021 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.28 -29.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 122.21 0.204 . . . . 0.56 110.624 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.31 -59.49 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-O 119.595 -0.24 . . . . 0.97 110.888 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -57.98 -39.76 78.99 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 113.767 1.025 . . . . 0.67 113.767 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -67.16 -27.04 66.97 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.607 0.595 . . . . 0.69 112.607 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -129.43 32.57 4.63 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.165 0.802 . . . . 1.02 113.165 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.37 -34.36 14.91 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.507 -0.553 . . . . 3.08 109.507 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.4 m -60.2 -39.03 85.12 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.291 0.637 . . . . 1.37 111.439 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -78.57 -37.97 41.34 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.719 0.408 . . . . 1.54 110.523 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.7 -23.47 67.26 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.766 0.654 . . . . 0.85 112.766 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -91.52 17.78 8.21 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.274 0.472 . . . . 1.73 112.274 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -91.82 -43.11 9.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 122.691 0.396 . . . . 1.68 111.232 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -103.82 -171.5 1.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.122 0.569 . . . . 1.45 110.706 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.13 136.79 5.29 Favored Glycine 0 C--N 1.363 2.062 0 N-CA-C 115.274 0.87 . . . . 0.86 115.274 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 64.77 147.97 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.355 1.062 . . . . 2.62 111.896 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -87.95 -33.72 18.34 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.236 0.458 . . . . 1.11 112.236 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -100.35 36.89 1.78 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.996 0.369 . . . . 1.36 111.996 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -144.03 142.59 30.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.242 0.217 . . . . 1.13 111.536 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.5 mp -90.39 165.13 14.02 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.177 -0.465 . . . . 0.79 110.255 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.6 t -105.45 159.88 15.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.72 0.408 . . . . 0.69 110.248 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.16 -33.89 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 111.701 0.26 . . . . 0.71 111.701 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.11 -29.94 43.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.204 0.201 . . . . 0.83 111.535 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.75 -43.21 66.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.632 0.373 . . . . 1.61 111.953 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -36.49 73.09 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.273 0.229 . . . . 0.66 111.367 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -60.7 -40.47 92.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.901 0.48 . . . . 0.81 111.179 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.68 -24.85 38.61 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.524 0.33 . . . . 0.69 111.292 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.39 -46.07 71.02 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.495 0.318 . . . . 0.68 110.766 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.29 -27.24 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 122.386 0.274 . . . . 0.48 111.32 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -100.93 33.13 2.92 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 112.218 0.451 . . . . 0.83 112.218 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -159.8 -60.82 0.07 Allowed 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.772 -0.58 . . . . 0.98 112.427 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -100.77 -11.57 19.78 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 112.724 0.638 . . . . 0.73 112.724 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.8 tp -135.07 47.78 2.52 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 118.083 0.401 . . . . 0.62 111.613 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -83.15 -37.67 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 122.563 2.175 . . . . 0.48 115.361 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -71.41 -34.2 70.13 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.297 0.48 . . . . 0.81 112.297 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.49 -59.38 4.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.282 0.233 . . . . 0.88 110.882 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -88.0 99.6 12.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 116.348 -0.387 . . . . 0.7 110.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -53.42 -34.9 59.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.192 0.597 . . . . 1.23 112.356 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.11 82.03 5.05 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.156 0.582 . . . . 1.94 110.412 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 m -86.13 -23.18 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.693 0.627 . . . . 0.6 112.693 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.67 -44.19 4.95 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.917 -0.379 . . . . 0.67 113.676 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 70.34 6.86 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 117.097 0.449 . . . . 0.92 111.672 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.81 -16.9 60.69 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 119.538 -0.267 . . . . 1.24 110.93 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -50.67 -33.16 21.49 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.777 0.658 . . . . 0.73 112.777 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.36 -42.04 94.96 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 117.631 0.196 . . . . 1.1 110.732 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 38.83 2.44 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.012 0.525 . . . . 1.47 110.487 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttt -113.08 -52.91 2.75 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.26 0.624 . . . . 0.81 109.846 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -70.38 -26.93 63.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.706 0.403 . . . . 2.39 110.711 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -71.59 -34.8 70.21 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 123.123 0.569 . . . . 0.63 110.952 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' B' ' 78' ' ' ARG . 65.7 mt -75.56 -66.15 0.81 Allowed 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.978 -0.378 . . . . 0.69 109.978 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -81.59 82.86 7.21 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 109.346 -0.613 . . . . 1.32 109.346 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.3 -29.96 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 115.493 -0.776 . . . . 0.72 112.175 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -73.6 -13.26 60.98 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.304 0.483 . . . . 1.38 112.304 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 66.29 75.63 0.33 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.701 0.801 . . . . 2.02 112.226 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.56 10.23 0.64 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 112.423 0.527 . . . . 1.3 112.423 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 57.08 31.46 20.0 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 113.003 0.742 . . . . 1.35 113.003 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -134.53 137.62 43.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.656 0.383 . . . . 2.4 110.962 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.06 66.66 0.76 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.192 -0.458 . . . . 1.13 110.221 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -61.71 161.01 10.66 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.67 -0.863 . . . . 1.81 108.67 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -22.89 64.81 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.294 0.952 . . . . 1.23 113.38 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.85 -33.19 60.01 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.345 0.521 . . . . 0.99 109.634 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.5 -39.03 16.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.142 0.577 . . . . 0.93 110.235 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.494 ' HA ' HD22 ' B' ' 63' ' ' LEU . 47.1 t80 -68.05 -18.53 64.71 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.076 . . . . 0.71 110.439 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -41.96 -37.74 1.41 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.792 1.637 . . . . 1.54 113.579 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.536 ' HB2' HD23 ' B' ' 63' ' ' LEU . 22.2 mmm-85 -67.38 -30.95 70.87 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.508 0.558 . . . . 2.15 112.508 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' HD21 ' B' ' 63' ' ' LEU . 11.0 tp -77.07 -29.77 55.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.166 0.439 . . . . 0.49 110.538 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -62.01 -40.73 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.15 0.58 . . . . 0.56 110.23 178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.49 -32.55 71.53 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 111.821 -0.512 . . . . 0.42 111.821 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.6 -7.42 59.51 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.943 0.497 . . . . 0.91 111.694 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -51.85 8.85 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 122.952 0.501 . . . . 0.69 110.854 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.43 40.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.759 0.651 . . . . 0.55 112.759 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -67.83 -40.21 83.78 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 117.982 0.356 . . . . 1.1 110.77 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -75.32 -20.89 58.82 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.518 0.562 . . . . 1.68 112.518 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.95 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.523 0.601 . . . . 0.63 111.468 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 4.11 15.21 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.183 0.808 . . . . 1.64 113.183 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -168.33 67.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.787 0.721 . . . . 1.65 112.429 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -84.57 -38.08 20.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.48 -0.327 . . . . 2.03 110.286 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -136.07 80.39 1.82 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.45 -0.944 . . . . 1.36 108.45 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -85.42 59.29 5.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.24 0.543 . . . . 1.72 112.073 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 tp -171.89 -49.62 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.701 -0.681 . . . . 1.27 110.065 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -76.98 -45.76 26.3 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.515 0.326 . . . . 1.61 110.506 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pp -133.63 108.1 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 122.905 0.482 . . . . 1.04 110.319 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -113.66 37.23 3.31 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.004 0.372 . . . . 2.42 112.004 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.37 90.13 0.27 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.399 0.518 . . . . 1.86 112.399 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 1.85 110.098 178.237 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.291 0.567 . . . . 2.71 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.46 131.32 17.07 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.628 -0.715 . . . . 1.02 110.813 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.7 113.16 24.7 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.153 0.283 . . . . 0.7 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -117.24 135.7 23.21 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.613 0.365 . . . . 1.02 110.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.39 131.63 15.3 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.73 2.287 . . . . 0.74 113.7 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -123.93 -61.82 1.34 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.191 0.596 . . . . 1.19 110.147 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -115.98 159.41 21.66 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.922 -0.769 . . . . 0.98 108.922 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.83 -38.25 72.37 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.258 0.466 . . . . 1.42 112.258 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.0 mt -71.55 -37.24 71.12 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.644 0.202 . . . . 0.65 111.118 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.71 -29.9 63.75 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.825 -0.435 . . . . 1.03 109.825 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.16 -32.62 73.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 123.802 0.841 . . . . 0.81 111.474 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -57.2 -55.46 34.47 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.167 0.432 . . . . 0.63 112.167 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.559 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.8 pp -75.51 -26.02 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 111.801 0.297 . . . . 0.56 111.801 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.9 tm-20 -66.38 -42.08 88.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.992 0.517 . . . . 1.0 111.258 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.5 m -63.09 -27.1 69.16 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.615 0.598 . . . . 0.77 112.615 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 t -69.12 -32.71 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 122.357 0.263 . . . . 0.5 111.11 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.1 t -84.95 -47.89 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.626 0.37 . . . . 0.95 111.098 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -62.43 -41.63 98.85 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.735 1.013 . . . . 0.62 113.735 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.11 -43.05 79.31 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.382 0.512 . . . . 0.66 112.382 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 41' ' ' LEU . 6.4 t80 -107.91 46.47 0.95 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.772 0.32 . . . . 0.95 111.529 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -92.6 -48.37 6.64 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.581 -0.281 . . . . 3.17 110.95 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -33.16 64.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.992 0.367 . . . . 1.37 111.992 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -79.27 -36.91 39.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 122.554 0.342 . . . . 1.55 110.985 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.44 69.61 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.251 0.834 . . . . 0.83 113.251 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -83.75 1.45 42.75 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.86 0.689 . . . . 1.55 112.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -73.99 -43.5 57.86 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.151 0.432 . . . . 1.8 111.929 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -137.96 123.52 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.835 0.309 . . . . 1.59 111.835 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.37 106.22 0.04 OUTLIER Glycine 0 C--N 1.351 1.413 0 CA-C-O 119.737 -0.479 . . . . 0.92 114.045 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 50.34 -175.77 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.643 0.979 . . . . 2.6 113.643 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -99.89 -42.48 6.78 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.991 0.516 . . . . 1.22 112.021 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.71 47.18 0.89 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.023 0.439 . . . . 1.43 111.553 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 p -147.96 123.4 10.35 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 116.047 -0.524 . . . . 1.09 110.08 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.88 170.13 17.05 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.501 -0.318 . . . . 0.76 110.769 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -105.12 158.38 16.61 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.844 -0.428 . . . . 0.68 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -30.02 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.578 0.585 . . . . 0.64 112.578 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -91.69 -33.72 14.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.534 0.334 . . . . 0.82 111.806 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.77 -35.13 69.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.671 0.619 . . . . 1.54 112.671 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -37.88 70.16 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.223 0.465 . . . . 0.65 110.183 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -58.96 -33.87 71.14 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.488 0.715 . . . . 0.87 111.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.91 -37.17 70.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.583 0.353 . . . . 0.73 111.499 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 20' ' ' PHE . 15.8 tp -65.11 -32.28 73.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.973 0.509 . . . . 0.65 112.079 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.5 -34.04 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 122.558 0.343 . . . . 0.45 110.781 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 34.13 3.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.665 0.386 . . . . 0.8 111.633 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -147.49 -56.44 0.24 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.162 0.43 . . . . 1.1 112.162 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -120.51 -2.57 9.96 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.302 0.853 . . . . 0.84 113.302 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -138.07 42.24 0.59 Allowed Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 118.351 0.523 . . . . 0.67 112.213 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 86.4 Cg_endo -80.11 -38.91 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.078 1.852 . . . . 0.52 114.092 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -67.06 -33.41 75.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.016 0.376 . . . . 0.85 112.016 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.39 -53.44 29.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.369 0.268 . . . . 0.87 110.555 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.5 mt -101.31 93.99 5.7 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.936 -0.764 . . . . 0.73 108.936 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.3 -36.91 69.2 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.577 0.954 . . . . 1.32 113.577 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -87.86 73.51 9.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.985 0.422 . . . . 2.08 110.517 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -77.63 -32.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.861 -0.609 . . . . 0.71 112.084 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.78 19.72 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-O 119.988 -0.34 . . . . 0.83 113.856 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -97.24 74.67 2.53 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.167 0.508 . . . . 0.85 110.944 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -8.15 52.97 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.764 -0.653 . . . . 1.22 111.005 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.35 -33.84 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.099 0.777 . . . . 0.77 113.099 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.56 -46.63 88.35 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 117.83 0.286 . . . . 1.09 111.013 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.58 -18.5 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.103 0.409 . . . . 1.55 112.103 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.9 ttp -69.18 -41.3 77.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.544 0.338 . . . . 0.84 111.278 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -59.14 -33.62 71.1 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 122.953 0.158 . . . . 2.56 111.124 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 m -70.05 -37.94 75.68 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 110.289 -0.263 . . . . 0.61 110.289 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 79' ' ' LEU . 52.5 mt -66.89 -49.23 66.26 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 110.272 -0.27 . . . . 0.68 110.272 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.43 63.68 2.15 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.368 -0.605 . . . . 1.39 109.368 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.84 -22.25 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.019 0 CA-C-N 116.062 -0.517 . . . . 0.73 112.367 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -85.61 -15.1 43.62 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.97 0.359 . . . . 1.44 111.97 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 60.89 73.75 0.47 Allowed 'General case' 0 C--N 1.361 1.078 0 C-N-CA 123.822 0.849 . . . . 1.96 111.831 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -149.12 15.96 0.93 Allowed 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 115.86 -0.609 . . . . 1.41 112.39 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 m 55.69 25.74 8.56 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 113.12 0.785 . . . . 1.31 113.12 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -123.35 152.45 41.48 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.711 0.404 . . . . 2.42 110.723 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -128.87 55.17 1.74 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.901 -0.59 . . . . 0.95 110.889 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -58.8 159.01 7.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.312 0.645 . . . . 1.89 110.717 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -28.05 66.53 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.524 0.602 . . . . 1.2 112.415 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.55 -24.79 62.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.512 0.325 . . . . 0.98 110.537 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.63 -32.32 10.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.708 0.803 . . . . 1.03 110.778 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.592 ' HA ' HD22 ' A' ' 63' ' ' LEU . 19.5 t80 -76.92 -15.2 59.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.789 0.836 . . . . 0.69 111.31 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -22.89 42.26 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.606 0.762 . . . . 1.62 112.033 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB2' HD23 ' A' ' 63' ' ' LEU . 17.0 mmm180 -64.02 -33.81 76.58 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.433 0.293 . . . . 1.96 110.95 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.741 ' HB2' HD21 ' A' ' 63' ' ' LEU . 8.6 tp -86.82 -36.07 18.72 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 119.504 -0.284 . . . . 0.53 110.74 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.2 -38.76 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 122.445 0.298 . . . . 0.61 110.257 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.28 -41.07 94.86 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 111.125 -0.79 . . . . 0.47 111.125 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.6 -26.07 64.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.652 0.381 . . . . 0.86 110.795 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.83 -48.43 76.83 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.591 -0.522 . . . . 0.67 109.591 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -83.0 -12.53 57.19 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.124 0.569 . . . . 0.55 112.522 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.632 0.373 . . . . 0.96 110.829 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -74.73 -11.24 60.12 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.411 0.523 . . . . 1.65 112.411 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.613 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -63.58 -31.3 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 122.507 0.323 . . . . 0.66 111.427 179.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -39.83 3.15 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.316 0.858 . . . . 1.74 113.316 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -111.77 40.24 2.18 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.237 1.199 . . . . 1.52 114.237 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -68.1 -39.35 82.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.718 -0.475 . . . . 1.87 109.718 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -140.34 57.87 1.58 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.356 -0.979 . . . . 1.53 108.356 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.8 -25.24 68.14 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 113.263 0.838 . . . . 1.81 113.263 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -80.12 -36.23 35.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 111.801 0.297 . . . . 1.24 111.801 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -80.49 -45.99 16.6 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.838 0.455 . . . . 1.73 111.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 pt -125.24 154.37 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.22 0.608 . . . . 1.06 110.957 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -146.57 26.12 1.17 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 112.846 0.684 . . . . 2.26 112.846 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -169.73 93.04 0.24 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.488 0.315 . . . . 1.74 111.481 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.992 0.425 . . . . 1.71 110.407 179.164 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 121.306 0.574 . . . . 1.75 110.343 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 155.46 39.25 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.597 -0.729 . . . . 0.78 111.592 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.32 103.83 13.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.765 0.426 . . . . 0.69 111.336 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' B' ' 5' ' ' PRO . 42.6 tt0 -112.63 137.16 21.61 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 122.688 0.395 . . . . 1.1 111.338 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 4' ' ' GLU . 15.0 Cg_exo -68.14 129.93 20.39 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.658 2.238 . . . . 0.83 112.85 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.77 -107.39 0.33 Allowed 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 118.966 -0.54 . . . . 1.24 110.345 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.6 p -93.32 -177.41 4.43 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 118.95 0.795 . . . . 1.06 110.357 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.24 -50.89 68.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.621 0.6 . . . . 1.51 112.621 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 41' ' ' LEU . 77.7 mt -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 111.742 0.275 . . . . 0.65 111.742 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.45 -34.12 72.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.575 0.35 . . . . 0.95 111.287 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -70.57 -26.7 63.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 122.317 0.247 . . . . 0.85 111.038 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -54.47 -59.83 4.16 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.695 0.398 . . . . 0.56 111.911 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -71.92 -30.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 123.021 0.201 . . . . 0.53 111.399 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.544 ' N ' HD12 ' B' ' 13' ' ' ILE . 8.1 tm-20 -65.98 -34.11 77.35 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.161 0.584 . . . . 1.0 111.346 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 40.7 m -68.78 -29.47 67.85 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.372 0.269 . . . . 0.88 111.308 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.79 -33.75 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 110.072 -0.344 . . . . 0.56 110.072 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' PHE . 41.0 t -74.64 -56.74 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 122.709 0.404 . . . . 0.97 110.196 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -52.66 -33.73 48.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.213 1.19 . . . . 0.67 114.213 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -77.53 -37.66 50.42 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.232 0.827 . . . . 0.69 113.232 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' B' ' 41' ' ' LEU . 9.1 t80 -122.94 27.05 7.86 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.998 1.11 . . . . 1.02 113.998 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 37.2 t80 -86.25 -31.45 21.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.644 -0.502 . . . . 3.08 109.644 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.0 m -58.64 -41.11 85.25 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 122.648 0.379 . . . . 1.37 110.3 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.9 -32.5 57.47 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.283 0.364 . . . . 1.54 110.25 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.37 73.8 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 122.925 0.49 . . . . 0.85 112.198 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -94.63 27.97 2.83 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.271 0.228 . . . . 1.73 111.541 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -91.12 -43.04 10.13 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.067 0.547 . . . . 1.68 110.085 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -101.07 -166.19 1.28 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.088 -0.708 . . . . 1.45 109.088 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.64 150.45 26.77 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 118.257 0.48 . . . . 0.86 113.265 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 64.77 134.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 2.62 111.647 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -78.11 -47.32 18.48 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.239 0.459 . . . . 1.11 112.239 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.8 60.71 2.97 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.831 0.348 . . . . 1.36 110.53 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -158.68 139.09 12.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.672 0.619 . . . . 1.13 112.672 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.0 125.1 41.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.365 -0.976 . . . . 0.79 108.365 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -68.01 166.42 15.89 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 111.953 0.353 . . . . 0.69 111.953 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -55.95 -37.25 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 112.77 0.656 . . . . 0.71 112.77 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -106.15 50.4 0.78 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.035 0.445 . . . . 0.83 110.537 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.42 -49.51 0.54 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.905 0.482 . . . . 1.61 110.814 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -68.16 -33.45 74.49 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.193 -0.299 . . . . 0.66 110.193 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -66.24 -38.8 88.74 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 122.541 0.337 . . . . 0.81 110.32 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.6 -35.28 75.17 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 110.035 -0.357 . . . . 0.69 110.035 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' B' ' 20' ' ' PHE . 29.8 tp -65.08 -42.46 94.07 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.744 0.418 . . . . 0.68 110.554 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.424 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 79.9 t -73.06 -25.18 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 O-C-N 123.331 0.394 . . . . 0.48 111.646 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -112.15 40.45 2.19 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 112.288 0.477 . . . . 0.83 112.288 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -160.32 -65.53 0.07 Allowed 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.948 -0.47 . . . . 0.98 111.35 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -106.59 -5.11 18.93 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.063 0.394 . . . . 0.73 112.063 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 10.9 tp -135.39 42.64 0.78 Allowed Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 112.031 0.382 . . . . 0.62 112.031 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.42 -34.23 0.82 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 C-N-CA 122.589 2.193 . . . . 0.48 114.452 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.43 -13.88 60.42 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.868 0.692 . . . . 0.81 112.868 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.0 -59.09 2.92 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.904 0.32 . . . . 0.88 110.788 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.41 112.15 23.99 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.597 -0.89 . . . . 0.7 108.597 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -54.82 -35.88 64.39 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.986 0.735 . . . . 1.23 112.986 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.26 86.79 6.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.589 0.356 . . . . 1.94 110.158 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.95 -22.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.63 0.604 . . . . 0.6 112.63 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.0 -66.65 1.44 Allowed Glycine 0 C--N 1.351 1.406 0 CA-C-O 119.808 -0.44 . . . . 0.67 113.073 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -78.27 88.13 4.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.166 0.483 . . . . 0.92 111.212 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -98.24 -1.17 42.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.223 0.609 . . . . 1.24 111.899 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.34 -26.48 65.63 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.635 0.605 . . . . 0.73 112.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.96 -33.45 74.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.732 0.413 . . . . 1.1 110.613 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.26 -30.68 12.84 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.245 0.618 . . . . 1.47 110.826 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.5 ttp -52.6 -46.32 66.92 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.563 0.579 . . . . 0.81 112.563 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -66.31 -36.26 82.49 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 117.636 0.198 . . . . 2.39 111.163 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -69.43 -34.89 75.1 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.728 0.411 . . . . 0.63 110.683 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' B' ' 78' ' ' ARG . 19.6 mt -71.58 -63.8 1.05 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 122.952 0.501 . . . . 0.69 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.74 82.23 6.79 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.969 0.414 . . . . 1.32 110.393 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.28 -31.2 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 115.841 -0.618 . . . . 0.72 112.441 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.34 -14.38 59.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.79 0.663 . . . . 1.38 112.79 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 61.58 59.75 1.78 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.664 0.785 . . . . 2.02 111.876 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -121.73 8.86 10.04 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.929 -0.578 . . . . 1.3 111.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t 70.56 -63.86 0.39 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.899 0.88 . . . . 1.35 111.693 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -70.67 120.21 15.95 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.578 0.351 . . . . 2.4 110.197 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tp -80.02 108.13 13.35 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.908 0.483 . . . . 1.13 111.828 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -78.39 167.84 20.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.804 -0.813 . . . . 1.81 108.804 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -29.5 70.16 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.793 0.724 . . . . 1.23 111.777 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.17 -30.92 69.23 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.717 -0.475 . . . . 0.99 109.717 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.15 -36.2 27.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.979 -0.378 . . . . 0.93 109.979 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -72.81 -16.35 61.62 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.454 0.701 . . . . 0.71 111.213 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -52.86 -31.03 37.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.939 1.296 . . . . 1.54 112.82 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.637 ' HB2' HD23 ' B' ' 63' ' ' LEU . 10.2 mmm-85 -68.1 -31.25 70.73 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.019 0.378 . . . . 2.15 112.019 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' B' ' 63' ' ' LEU . 8.8 tp -80.87 -36.74 30.94 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.645 -0.502 . . . . 0.49 109.645 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.31 -36.82 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.018 0.527 . . . . 0.56 110.386 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.55 57.05 Favored Glycine 0 C--N 1.355 1.627 0 N-CA-C 111.749 -0.54 . . . . 0.42 111.749 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.68 -26.37 60.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.901 0.481 . . . . 0.91 111.565 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mp -57.34 -50.68 72.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.188 0.595 . . . . 0.69 111.291 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -82.62 -18.7 40.24 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.268 0.47 . . . . 0.55 112.268 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -78.87 -31.49 45.58 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.903 0.481 . . . . 1.1 111.726 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.81 -5.15 39.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.025 0.75 . . . . 1.68 113.025 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.43 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -80.1 -45.46 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 118.571 0.623 . . . . 0.63 110.363 178.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.06 -42.01 33.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.46 0.304 . . . . 1.64 111.711 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -145.18 84.89 1.72 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.486 0.55 . . . . 1.65 112.486 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -38.81 65.0 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.982 -0.377 . . . . 2.03 109.982 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -121.99 78.79 1.51 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.248 -1.019 . . . . 1.36 108.248 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -75.92 68.15 2.39 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.431 0.634 . . . . 1.72 112.029 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -175.28 -46.53 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.326 -0.852 . . . . 1.27 110.467 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.94 -54.91 4.21 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.412 0.685 . . . . 1.61 111.5 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.27 137.57 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.69 0.396 . . . . 1.04 111.351 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -159.89 62.65 0.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 112.343 0.498 . . . . 2.42 112.343 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -171.01 47.73 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.975 0.51 . . . . 1.86 111.7 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.9 tttp . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.163 -0.922 . . . . 1.85 110.884 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 113.074 0.768 . . . . 2.71 113.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.62 152.39 30.42 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.976 0.353 . . . . 1.02 111.098 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.83 22.28 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.512 0.325 . . . . 0.7 111.266 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -99.95 139.59 20.89 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 122.96 0.504 . . . . 1.02 110.569 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.27 137.3 79.85 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 122.809 2.339 . . . . 0.74 114.063 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -137.68 -149.14 0.29 Allowed 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 123.387 0.675 . . . . 1.19 110.82 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -59.33 162.58 4.57 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 119.069 0.85 . . . . 0.98 111.546 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -44.24 -52.01 7.81 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.535 0.939 . . . . 1.42 113.535 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.48 -36.45 71.15 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 117.907 0.321 . . . . 0.65 111.823 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.24 -31.75 66.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.401 0.28 . . . . 1.03 111.234 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -78.8 -22.1 46.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.205 0.602 . . . . 0.81 111.752 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -61.4 -54.03 48.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.093 0.406 . . . . 0.63 110.347 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.7 pp -70.18 -21.69 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 111.713 0.264 . . . . 0.56 111.713 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -75.03 -39.12 61.24 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.047 0.539 . . . . 1.0 111.302 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -63.87 -33.61 76.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.635 0.374 . . . . 0.77 111.384 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.56 -33.68 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 122.637 0.375 . . . . 0.5 110.142 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.6 t -74.49 -59.42 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.011 0.524 . . . . 0.95 110.565 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.6 p -51.18 -40.14 57.97 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.574 1.324 . . . . 0.62 114.574 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -72.14 -56.87 4.83 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.189 0.811 . . . . 0.66 113.189 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.08 -20.8 47.9 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.919 1.081 . . . . 0.95 113.919 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.03 -21.62 62.25 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 119.016 0.825 . . . . 3.17 112.417 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -68.37 -33.51 74.4 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.184 0.447 . . . . 1.37 110.574 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.63 -35.34 11.09 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.294 0.637 . . . . 1.55 111.356 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.61 53.81 1.92 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.867 0.467 . . . . 0.83 112.143 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -134.18 17.03 3.76 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.73 0.412 . . . . 1.55 111.677 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -112.47 -45.81 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.582 0.353 . . . . 1.8 111.412 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -90.82 97.78 11.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.592 0.357 . . . . 1.59 111.8 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.26 81.62 0.66 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 114.337 0.495 . . . . 0.92 114.337 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 58.31 173.8 0.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.929 0.892 . . . . 2.6 113.229 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -92.52 -43.49 9.13 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.072 0.549 . . . . 1.22 111.106 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.14 -30.91 70.15 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.37 0.419 . . . . 1.43 111.883 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -90.93 150.26 21.57 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 120.742 0.306 . . . . 1.09 111.476 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.1 168.84 10.21 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.882 -0.599 . . . . 0.76 110.575 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -95.44 166.67 11.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.643 0.377 . . . . 0.68 111.749 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.5 -37.24 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 116.287 -0.415 . . . . 0.64 111.244 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.41 -43.68 31.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.723 0.268 . . . . 0.82 111.723 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.32 -28.87 70.3 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.417 0.287 . . . . 1.54 111.626 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -66.95 -37.42 84.25 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 122.508 0.323 . . . . 0.65 110.288 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.33 -36.0 81.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.867 0.467 . . . . 0.87 111.156 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.18 -30.34 38.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.466 0.306 . . . . 0.73 111.494 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.72 -46.15 86.7 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.59 0.356 . . . . 0.65 110.823 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.42 -26.96 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 122.652 0.381 . . . . 0.45 111.656 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -102.79 32.6 3.58 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 112.223 0.453 . . . . 0.8 112.223 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -160.61 -63.71 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.738 -0.601 . . . . 1.1 112.36 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -100.07 -3.51 31.8 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.115 0.783 . . . . 0.84 113.115 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.409 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.4 tt -142.07 57.35 6.59 Favored Pre-proline 0 CA--C 1.561 1.399 0 CA-C-N 118.014 0.37 . . . . 0.67 110.171 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 18.2 Cg_endo -92.23 -63.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.845 2.364 . . . . 0.52 115.184 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -49.71 -33.16 15.17 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.962 1.097 . . . . 0.85 113.962 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 87' ' ' ILE . 11.1 tp -68.39 -54.23 18.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.299 0.24 . . . . 0.87 110.912 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.95 103.73 15.6 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.585 -0.894 . . . . 0.73 108.585 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -50.13 -37.19 33.15 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.335 1.235 . . . . 1.32 114.335 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -95.88 96.96 9.28 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 122.394 0.277 . . . . 2.08 111.64 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.73 -1.13 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 111.753 0.279 . . . . 0.71 111.753 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.89 -33.41 1.39 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 119.597 -0.557 . . . . 0.83 112.418 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.5 t -87.06 74.27 9.7 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 117.316 0.558 . . . . 0.85 110.782 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.78 49.16 0.81 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.774 0.43 . . . . 1.22 110.288 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.33 -43.11 4.19 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.383 -0.371 . . . . 0.77 111.232 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -72.34 -28.18 62.88 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.39 0.515 . . . . 1.09 112.39 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -89.79 -39.75 12.91 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.993 0.368 . . . . 1.55 111.993 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.1 ttp -60.26 -39.11 85.62 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.399 0.518 . . . . 0.84 112.399 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -68.38 -40.25 81.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.014 0.126 . . . . 2.56 111.17 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -69.65 -28.8 66.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.654 0.382 . . . . 0.61 111.619 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 76' ' ' TYR . 43.1 mt -72.37 -64.68 0.9 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.425 0.29 . . . . 0.68 110.393 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -83.8 73.89 10.25 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.808 0.337 . . . . 1.39 110.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.39 -26.17 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 116.179 -0.464 . . . . 0.73 112.053 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -71.31 -23.38 61.93 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.51 0.324 . . . . 1.44 111.825 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 63.53 71.6 0.49 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 123.719 0.807 . . . . 1.96 111.369 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -144.08 12.15 1.59 Allowed 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.844 -0.616 . . . . 1.41 111.935 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 t 58.04 29.79 18.28 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 123.497 0.719 . . . . 1.31 112.459 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.23 114.41 8.24 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.024 0.53 . . . . 2.42 109.98 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.16 85.46 5.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.678 0.275 . . . . 0.95 111.074 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -68.27 162.39 25.18 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 108.15 -1.056 . . . . 1.89 108.15 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -22.74 65.68 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.558 1.072 . . . . 1.2 112.191 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.84 -32.52 65.54 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 109.674 -0.491 . . . . 0.98 109.674 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -87.25 -42.01 13.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.592 0.757 . . . . 1.03 110.224 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.562 ' HA ' HD22 ' A' ' 63' ' ' LEU . 24.7 t80 -62.44 -20.73 64.81 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.968 0.907 . . . . 0.69 110.967 177.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -39.79 -37.93 0.6 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.92 1.688 . . . . 1.62 113.64 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.469 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.1 mmm180 -61.36 -23.85 66.06 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.402 0.89 . . . . 1.96 113.402 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' HB2' HD21 ' A' ' 63' ' ' LEU . 5.9 tp -90.41 -34.87 15.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.29 0.496 . . . . 0.53 111.291 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.62 -37.12 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 110.002 -0.37 . . . . 0.61 110.002 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.74 -34.44 77.95 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 111.713 -0.555 . . . . 0.47 111.713 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.31 -21.32 46.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.733 0.413 . . . . 0.86 111.086 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -52.02 66.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.197 0.599 . . . . 0.67 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -77.04 -22.7 52.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.069 0.396 . . . . 0.55 112.069 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.82 -44.68 55.02 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.946 -0.39 . . . . 0.96 109.946 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.64 -17.52 61.66 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 112.395 0.517 . . . . 1.65 112.395 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.73 -32.65 58.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-N 118.184 0.447 . . . . 0.66 111.525 178.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -113.07 -37.84 4.66 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.827 0.677 . . . . 1.74 112.827 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -122.69 72.74 1.09 Allowed 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.735 0.302 . . . . 1.52 111.788 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -91.17 -42.6 10.35 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.859 -0.423 . . . . 1.87 109.859 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -127.62 61.31 1.41 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.535 0.734 . . . . 1.53 109.239 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.37 73.49 3.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.093 0.473 . . . . 1.81 111.387 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 tp -166.67 -54.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.912 -0.585 . . . . 1.24 110.888 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -95.86 -37.06 10.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.975 0.51 . . . . 1.73 111.427 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.95 143.14 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.549 0.339 . . . . 1.06 111.67 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -152.22 51.48 0.78 Allowed 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.009 0.433 . . . . 2.26 111.43 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -159.31 84.48 0.78 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.222 -0.444 . . . . 1.74 111.234 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 tttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 116.411 -0.359 . . . . 1.71 110.096 179.515 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 112.002 0.371 . . . . 1.75 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.76 149.48 22.28 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 122.801 0.441 . . . . 0.78 111.138 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.47 122.37 33.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.639 -0.255 . . . . 0.69 111.025 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -116.76 132.98 23.11 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 119.318 -0.373 . . . . 1.1 110.436 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.68 141.51 95.26 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.02 2.48 . . . . 0.83 113.496 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 mt -133.7 -97.81 0.27 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 119.243 -0.408 . . . . 1.24 111.277 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 m -95.79 162.68 13.49 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.445 0.566 . . . . 1.06 109.652 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.98 -42.19 62.75 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.925 0.713 . . . . 1.51 112.925 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.08 -40.27 46.71 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.694 0.225 . . . . 0.65 111.267 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.45 -26.26 62.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.311 0.244 . . . . 0.95 111.145 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.67 -24.6 49.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.233 0.613 . . . . 0.85 111.827 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -56.5 -57.16 13.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.555 0.342 . . . . 0.56 110.844 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.7 pp -71.94 -21.34 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.03 0.207 . . . . 0.53 111.447 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.474 ' N ' HD12 ' B' ' 13' ' ' ILE . 3.4 tm-20 -68.36 -41.63 80.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.225 0.61 . . . . 1.0 110.553 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -66.49 -33.3 75.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.28 0.363 . . . . 0.88 110.993 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.08 -32.94 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 122.85 0.46 . . . . 0.56 110.554 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.73 -60.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 122.84 0.456 . . . . 0.97 110.728 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -55.5 -34.41 64.59 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.859 1.059 . . . . 0.67 113.859 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -66.71 -46.41 75.62 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.018 0.377 . . . . 0.69 112.018 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.31 30.48 6.89 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.167 0.803 . . . . 1.02 113.167 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -82.28 -35.05 28.42 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.936 -0.477 . . . . 3.08 110.289 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -67.17 -34.24 77.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.419 0.688 . . . . 1.37 111.449 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -83.74 -33.32 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.602 0.361 . . . . 1.54 111.106 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.3 65.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.47 0.544 . . . . 0.85 112.47 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -78.35 -13.42 59.85 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.114 0.783 . . . . 1.73 113.114 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.89 -35.92 82.7 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 117.846 0.294 . . . . 1.68 111.789 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -106.5 -177.75 3.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.846 0.459 . . . . 1.45 110.881 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.44 125.75 0.94 Allowed Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.738 1.055 . . . . 0.86 115.738 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 64.87 140.41 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.25 1.02 . . . . 2.62 112.511 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -73.2 -42.83 62.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 116.078 -0.51 . . . . 1.11 111.531 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.18 50.85 1.42 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.045 0.45 . . . . 1.36 110.471 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.4 t -159.12 131.04 6.47 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 116.319 -0.401 . . . . 1.13 111.488 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.36 168.46 15.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.0 0.52 . . . . 0.79 110.875 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -102.04 166.24 10.73 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.558 0.343 . . . . 0.69 111.042 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.3 -24.21 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 112.445 0.535 . . . . 0.71 112.445 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -98.51 -32.8 11.28 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.686 0.395 . . . . 0.83 111.926 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.4 -31.55 60.47 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.992 0.738 . . . . 1.61 112.992 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -70.26 -35.51 73.83 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.251 0.478 . . . . 0.66 110.405 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -64.29 -37.16 86.52 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.234 0.614 . . . . 0.81 111.242 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.11 -31.91 72.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.775 0.43 . . . . 0.69 111.008 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -71.32 -32.65 68.84 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.81 0.444 . . . . 0.68 111.85 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.46 HG13 HD12 ' B' ' 50' ' ' LEU . 51.5 t -77.73 -28.16 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 119.465 -0.303 . . . . 0.48 111.474 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -99.03 2.81 46.57 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 113.023 0.749 . . . . 0.83 113.023 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -129.42 -59.04 1.1 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 112.685 0.624 . . . . 0.98 112.685 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.36 -8.65 21.87 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.847 1.054 . . . . 0.73 113.847 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.412 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 0.8 OUTLIER -139.14 43.54 0.67 Allowed Pre-proline 0 CA--C 1.566 1.589 0 CA-C-N 118.374 0.534 . . . . 0.62 112.204 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 74.5 Cg_endo -84.46 -32.35 0.38 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.368 2.045 . . . . 0.48 114.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -68.04 -33.28 74.29 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 111.991 0.367 . . . . 0.81 111.991 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.429 HD13 HG12 ' B' ' 87' ' ' ILE . 28.1 tp -69.83 -62.31 1.43 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.284 0.234 . . . . 0.88 111.385 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.46 HD12 HG13 ' B' ' 42' ' ' VAL . 67.3 mt -85.6 110.08 19.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 110.113 -0.329 . . . . 0.7 110.113 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.28 -36.52 53.1 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.227 0.825 . . . . 1.23 113.227 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.77 101.65 13.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.479 0.312 . . . . 1.94 110.771 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.96 -27.58 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 112.272 0.471 . . . . 0.6 112.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.75 -57.37 1.95 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-O 120.024 -0.32 . . . . 0.67 113.081 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -83.97 91.22 7.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.568 0.347 . . . . 0.92 111.188 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.02 8.14 36.59 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.281 -0.418 . . . . 1.24 111.435 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.08 -27.55 68.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.404 . . . . 0.73 111.691 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.3 -33.53 75.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.676 0.39 . . . . 1.1 110.764 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -98.29 -38.89 9.09 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 122.968 0.507 . . . . 1.47 111.762 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -57.78 -42.22 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 112.969 0.729 . . . . 0.81 112.969 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -62.44 -36.67 83.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.122 0.169 . . . . 2.39 111.4 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -81.58 -32.89 31.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.307 0.379 . . . . 0.63 111.006 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 79' ' ' LEU . 22.8 mt -61.91 -55.75 26.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.116 0.566 . . . . 0.69 111.485 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.85 71.83 9.45 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.262 -0.644 . . . . 1.32 109.262 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.98 -16.52 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 CA-C-N 115.603 -0.726 . . . . 0.72 112.706 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -92.85 -7.78 45.33 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 112.571 0.582 . . . . 1.38 112.571 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.65 38.1 27.59 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.318 0.647 . . . . 2.02 111.558 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.92 -2.88 13.47 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.5 t 64.85 23.29 12.63 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.356 0.662 . . . . 1.35 112.004 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -126.18 116.02 20.67 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.118 0.567 . . . . 2.4 109.508 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.76 70.03 3.44 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.998 0.428 . . . . 1.13 111.921 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -65.29 161.22 19.96 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 107.942 -1.132 . . . . 1.81 107.942 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 0.6 OUTLIER -55.05 -24.05 22.98 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 119.528 1.058 . . . . 1.23 113.105 -179.571 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -74.66 -41.99 59.31 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 109.818 -0.438 . . . . 0.99 109.818 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.06 -33.37 50.9 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.294 0.638 . . . . 0.93 110.265 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -75.68 -11.09 59.93 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.047 0.939 . . . . 0.71 111.626 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -47.15 -37.24 9.63 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.986 1.314 . . . . 1.54 113.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -58.88 -42.36 89.32 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.307 0.854 . . . . 2.15 113.307 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.436 ' HB2' HD21 ' B' ' 63' ' ' LEU . 15.6 tp -78.39 -23.92 46.56 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 111.961 0.356 . . . . 0.49 111.961 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.29 -38.88 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.546 0.338 . . . . 0.56 111.104 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.83 91.92 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 112.028 -0.429 . . . . 0.42 112.028 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.73 -26.08 62.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.065 0.546 . . . . 0.91 110.988 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -52.89 63.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.041 0.536 . . . . 0.69 111.024 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -83.15 -16.31 47.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.382 0.882 . . . . 0.55 113.382 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -80.44 -40.07 26.99 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.998 0.363 . . . . 1.1 111.35 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.27 -18.02 55.87 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.491 0.923 . . . . 1.68 113.491 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ILE . . . . . 0.468 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 118.416 0.553 . . . . 0.63 111.912 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 17.6 ptt-85 -93.11 -35.51 13.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.606 0.224 . . . . 1.64 111.606 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -149.81 92.17 1.88 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 111.971 0.36 . . . . 1.65 111.971 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -34.59 25.75 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.894 -0.41 . . . . 2.03 109.894 177.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -126.7 84.61 2.28 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.57 -0.9 . . . . 1.36 108.57 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.67 64.73 4.63 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.466 0.65 . . . . 1.72 112.005 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -174.29 -49.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.188 -0.914 . . . . 1.27 109.975 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.5 -50.25 11.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.301 0.64 . . . . 1.61 110.764 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.3 pt -116.97 138.74 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.179 0.591 . . . . 1.04 110.367 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -137.24 26.15 2.92 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.641 0.608 . . . . 2.42 112.641 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.25 97.16 0.6 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.427 0.291 . . . . 1.86 111.322 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.939 -1.029 . . . . 1.85 110.69 179.578 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 112.23 0.456 . . . . 2.71 112.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.53 124.42 19.95 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.853 0.461 . . . . 1.02 110.408 179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.73 116.67 23.37 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.458 -0.337 . . . . 0.7 111.716 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -111.79 141.83 25.5 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 122.87 0.468 . . . . 1.02 110.825 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -69.89 136.84 33.66 Favored 'Trans proline' 0 C--N 1.381 2.285 0 C-N-CA 122.802 2.335 . . . . 0.74 113.043 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.0 mt -130.11 -76.2 0.54 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 122.583 0.353 . . . . 1.19 111.591 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.7 m -113.55 166.29 11.66 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.287 0.635 . . . . 0.98 109.839 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.09 -42.01 72.33 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.742 0.645 . . . . 1.42 112.742 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.4 -36.13 60.91 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 111.653 0.242 . . . . 0.65 111.653 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -76.92 -27.35 54.87 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.671 0.389 . . . . 1.03 110.963 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.15 -34.03 68.2 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 123.027 0.531 . . . . 0.81 111.026 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.0 m -59.7 -52.62 64.73 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.907 0.321 . . . . 0.63 110.942 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -66.85 -24.06 32.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 N-CA-C 111.647 0.239 . . . . 0.56 111.647 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.55 -35.08 46.59 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.012 0.525 . . . . 1.0 110.794 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.8 m -63.47 -38.84 92.68 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.688 0.395 . . . . 0.77 111.523 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 45.8 t -67.13 -32.3 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 122.33 0.252 . . . . 0.5 110.969 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -78.81 -52.9 14.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 122.447 0.299 . . . . 0.95 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.8 p -65.07 -25.44 67.81 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 114.657 1.354 . . . . 0.62 114.657 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.9 m -80.4 -42.56 22.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.441 0.904 . . . . 0.66 113.441 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CD1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -100.58 -23.02 14.77 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.237 1.199 . . . . 0.95 114.237 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -67.57 -13.25 61.9 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-N 119.185 0.902 . . . . 3.17 113.068 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 m -67.3 -30.0 69.74 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 110.068 -0.345 . . . . 1.37 110.068 176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -99.78 -27.68 13.52 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.321 0.648 . . . . 1.55 111.158 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.26 66.96 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.144 0.424 . . . . 0.83 112.144 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -65.61 -19.93 66.11 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.147 0.425 . . . . 1.55 112.147 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -53.01 -44.08 66.99 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.215 0.606 . . . . 1.8 111.87 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -91.66 -178.66 5.13 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 122.44 0.296 . . . . 1.59 110.31 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.33 147.93 12.46 Favored Glycine 0 C--N 1.357 1.71 0 N-CA-C 114.36 0.504 . . . . 0.92 114.36 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? 64.94 136.98 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 124.06 0.944 . . . . 2.6 111.809 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -84.92 -40.05 17.46 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 116.392 -0.367 . . . . 1.22 111.206 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.51 -15.62 56.27 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 112.638 0.607 . . . . 1.43 112.638 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.9 t -90.35 144.4 25.85 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.482 0.549 . . . . 1.09 112.482 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 mp -96.22 144.97 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.548 -0.751 . . . . 0.76 109.36 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.9 t -70.01 152.89 43.89 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.071 0.397 . . . . 0.68 112.071 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -79.33 -24.5 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.063 0 N-CA-C 112.597 0.592 . . . . 0.64 112.597 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -96.29 -26.52 15.36 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 112.152 0.427 . . . . 0.82 112.152 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -82.83 -33.16 27.22 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 113.089 0.774 . . . . 1.54 113.089 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -66.18 -33.49 75.89 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.165 0.439 . . . . 0.65 110.843 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -67.31 -35.8 80.18 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 122.871 0.468 . . . . 0.87 110.416 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -73.95 -34.04 64.13 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.74 0.416 . . . . 0.73 110.624 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD22 ' CD1' ' A' ' 20' ' ' PHE . 16.3 tp -67.85 -40.65 83.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.902 0.481 . . . . 0.65 111.149 179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.5 t -69.95 -19.34 22.54 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 C-N-CA 122.648 0.379 . . . . 0.45 111.563 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -107.96 13.27 26.31 Favored 'General case' 0 CA--C 1.556 1.209 0 N-CA-C 112.055 0.391 . . . . 0.8 112.055 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -138.22 -56.68 0.65 Allowed 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 118.064 0.393 . . . . 1.1 111.858 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -98.69 -17.69 18.43 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.809 0.67 . . . . 0.84 112.809 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.45 47.99 3.19 Favored Pre-proline 0 CA--C 1.564 1.501 0 CA-C-N 118.015 0.37 . . . . 0.67 111.327 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -84.41 -34.84 0.22 Allowed 'Trans proline' 0 C--N 1.385 2.479 0 C-N-CA 122.567 2.178 . . . . 0.52 115.229 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -70.12 -35.32 74.02 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 112.882 0.697 . . . . 0.85 112.882 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 tp -66.05 -69.36 0.3 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.571 0.348 . . . . 0.87 111.534 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.99 100.52 11.11 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.734 -0.469 . . . . 0.73 109.734 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.0 -38.38 56.56 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.701 1.0 . . . . 1.32 113.701 -178.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -86.23 73.59 10.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.811 0.339 . . . . 2.08 110.55 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.4 m -71.15 -33.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 116.441 -0.345 . . . . 0.71 111.155 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.95 -40.89 6.48 Favored Glycine 0 C--N 1.355 1.608 0 CA-C-O 119.83 -0.428 . . . . 0.83 112.614 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -88.59 71.05 8.9 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 121.306 0.574 . . . . 0.85 109.769 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.54 2.49 30.89 Favored 'General case' 0 CA--C 1.552 1.049 0 CA-C-N 115.401 -0.818 . . . . 1.22 110.98 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -63.48 -30.38 71.51 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.383 0.512 . . . . 0.77 112.383 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.12 -45.06 95.14 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.546 0.338 . . . . 1.09 110.868 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -84.59 -33.35 23.39 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 122.357 0.263 . . . . 1.55 111.217 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.3 ttp -54.75 -36.99 65.39 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 122.769 0.427 . . . . 0.84 111.987 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm -78.46 -40.56 35.22 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 123.094 0.246 . . . . 2.56 110.998 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -66.53 -31.86 72.84 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.791 0.436 . . . . 0.61 111.794 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.653 HD21 ' HB2' ' A' ' 79' ' ' LEU . 19.1 mt -65.6 -59.98 3.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.091 0.556 . . . . 0.68 111.351 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.09 80.44 9.18 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.209 0.528 . . . . 1.39 109.9 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.94 -28.68 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 CA-C-N 115.658 -0.701 . . . . 0.73 111.933 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -86.82 -27.07 23.74 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.605 0.362 . . . . 1.44 111.522 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 58.77 84.06 0.11 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 123.694 0.798 . . . . 1.96 111.649 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -117.09 -70.63 0.78 Allowed 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.02 -0.536 . . . . 1.41 109.779 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 m -164.43 -55.6 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.204 0.602 . . . . 1.31 110.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.37 175.31 5.5 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.205 0.602 . . . . 2.42 110.772 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.8 mp -100.0 99.67 10.45 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.961 0.504 . . . . 0.95 111.523 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -66.44 162.7 19.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 108.487 -0.931 . . . . 1.89 108.487 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -60.62 -29.14 69.05 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 119.515 1.052 . . . . 1.2 112.03 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -70.94 -28.26 64.36 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 110.115 -0.328 . . . . 0.98 110.115 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.25 -43.31 11.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.357 0.663 . . . . 1.03 110.549 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.64 ' HA ' HD22 ' A' ' 63' ' ' LEU . 41.6 t80 -68.36 -17.53 64.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.707 0.803 . . . . 0.69 112.187 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -53.74 -25.05 16.95 Favored 'General case' 0 CA--C 1.558 1.285 0 C-N-CA 124.259 1.023 . . . . 1.62 113.319 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.61 ' HB2' HD23 ' A' ' 63' ' ' LEU . 6.8 mmm-85 -66.6 -25.07 66.44 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 118.22 0.464 . . . . 1.96 111.698 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.653 ' HB2' HD21 ' A' ' 63' ' ' LEU . 14.0 tp -93.55 -25.89 17.37 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 122.826 0.451 . . . . 0.53 110.295 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.2 mm -63.48 -37.71 80.29 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 C-N-CA 122.79 0.436 . . . . 0.61 109.954 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.5 -41.64 57.44 Favored Glycine 0 C--N 1.357 1.717 0 N-CA-C 111.563 -0.615 . . . . 0.47 111.563 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -67.94 -22.73 65.04 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.62 0.368 . . . . 0.86 110.676 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -49.21 77.33 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.005 0.522 . . . . 0.67 110.664 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.27 -11.76 42.59 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.645 0.609 . . . . 0.55 112.645 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -87.42 -37.38 17.08 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 117.977 0.353 . . . . 0.96 111.226 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -87.18 -7.75 57.62 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 112.196 0.443 . . . . 1.65 112.196 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.415 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -66.61 -38.72 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 CA-C-N 118.094 0.406 . . . . 0.66 111.297 179.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.33 -30.13 9.83 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.791 0.663 . . . . 1.74 112.791 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -134.04 65.72 1.57 Allowed 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.716 0.636 . . . . 1.52 112.716 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -35.36 59.2 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.818 -0.438 . . . . 1.87 109.818 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -137.34 70.51 1.4 Allowed 'General case' 0 C--N 1.35 0.625 0 C-N-CA 123.599 0.76 . . . . 1.53 108.957 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -77.2 72.1 3.72 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-O 121.508 0.67 . . . . 1.81 111.181 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.8 tp -171.04 -48.4 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.218 -0.901 . . . . 1.24 110.416 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -89.93 -54.17 4.16 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.855 0.462 . . . . 1.73 110.604 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.2 pt -113.92 125.32 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 123.034 0.534 . . . . 1.06 109.803 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -142.74 40.38 1.54 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.401 0.519 . . . . 2.26 112.401 -178.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -152.74 69.27 0.85 Allowed 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 120.959 0.409 . . . . 1.74 111.967 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 tttp . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 122.829 0.452 . . . . 1.71 109.973 179.2 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 112.165 0.431 . . . . 1.75 112.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.03 161.48 13.7 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 122.433 0.293 . . . . 0.78 111.501 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.511 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -93.86 125.01 38.24 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.135 -0.484 . . . . 0.69 111.612 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -120.45 141.5 32.14 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.589 . . . . 1.1 110.038 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -52.2 141.32 49.22 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 123.038 2.492 . . . . 0.83 114.29 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.7 mt -136.26 -128.46 0.15 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 119.011 -0.518 . . . . 1.24 110.324 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -80.12 161.97 25.01 Favored 'General case' 0 C--N 1.364 1.236 0 CA-C-N 119.163 0.892 . . . . 1.06 110.871 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -41.43 -48.69 3.85 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 114.124 1.157 . . . . 1.51 114.124 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -73.6 -41.21 63.15 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 111.778 0.288 . . . . 0.65 111.778 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.82 -37.34 79.13 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.954 0.502 . . . . 0.95 111.427 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.38 -32.79 74.39 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.412 0.685 . . . . 0.85 112.406 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -63.04 -55.23 27.37 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 117.946 0.339 . . . . 0.56 110.669 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.59 -18.07 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 111.88 0.326 . . . . 0.53 111.88 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.511 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 7.4 tm-20 -78.53 -40.47 34.99 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.364 0.666 . . . . 1.0 110.74 178.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -63.59 -34.7 78.39 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.014 0.376 . . . . 0.88 112.014 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.08 -32.12 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 122.284 0.234 . . . . 0.56 110.979 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 98.1 t -71.46 -53.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 122.896 0.478 . . . . 0.97 110.759 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -63.29 -28.08 69.77 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 114.501 1.297 . . . . 0.67 114.501 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 16.3 m -71.42 -49.37 42.49 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.911 0.708 . . . . 0.69 112.911 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -90.09 -19.64 24.1 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.422 0.897 . . . . 1.02 113.422 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -64.5 -21.17 66.6 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 118.93 0.786 . . . . 3.08 112.656 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -62.96 -31.12 72.16 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.713 0.405 . . . . 1.37 111.252 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.64 -27.39 13.1 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.914 0.486 . . . . 1.54 111.804 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -24.24 61.19 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.517 0.562 . . . . 0.85 112.517 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -59.59 -32.09 70.07 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.922 0.712 . . . . 1.73 112.922 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -58.88 -33.69 70.79 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 112.937 0.718 . . . . 1.68 112.937 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -89.98 176.58 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.343 0.257 . . . . 1.45 110.776 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.74 142.58 45.75 Favored Glycine 0 C--N 1.356 1.654 0 N-CA-C 113.958 0.343 . . . . 0.86 113.958 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 61.45 114.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.001 0.92 . . . . 2.62 112.01 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -62.48 -40.26 96.11 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.421 0.288 . . . . 1.11 111.562 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -71.15 -27.61 63.67 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 111.804 0.298 . . . . 1.36 111.804 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -83.19 147.22 28.16 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 112.228 0.455 . . . . 1.13 112.228 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.33 151.08 23.87 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 115.41 -0.814 . . . . 0.79 109.967 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.5 t -74.16 158.78 33.56 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.526 0.331 . . . . 0.69 111.535 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -85.46 -19.39 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 112.256 0.465 . . . . 0.71 112.256 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -100.45 -42.59 6.54 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.611 0.365 . . . . 0.83 111.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.32 -36.99 82.59 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 112.577 0.584 . . . . 1.61 112.577 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.6 -37.12 84.22 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 117.953 0.342 . . . . 0.66 110.249 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -64.39 -36.41 84.07 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.297 0.639 . . . . 0.81 110.274 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.48 -28.92 63.21 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.821 0.448 . . . . 0.69 111.197 178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.6 -36.58 84.71 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.824 0.45 . . . . 0.68 110.667 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.471 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 67.9 t -74.72 -30.09 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 122.621 0.368 . . . . 0.48 111.171 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.35 27.77 4.51 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 122.447 0.299 . . . . 0.83 111.769 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -154.65 -52.79 0.09 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 112.282 0.475 . . . . 0.98 112.282 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -112.83 -6.42 13.82 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.584 0.957 . . . . 0.73 113.584 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.9 OUTLIER -137.71 39.11 0.39 Allowed Pre-proline 0 CA--C 1.566 1.571 0 CA-C-N 118.449 0.568 . . . . 0.62 112.244 179.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.38 -33.81 2.32 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.232 1.954 . . . . 0.48 114.309 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -72.11 -30.1 64.73 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.319 0.489 . . . . 0.81 112.319 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.26 -53.49 16.72 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 117.524 0.147 . . . . 0.88 110.947 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.0 102.72 14.54 Favored 'General case' 0 C--N 1.348 0.54 0 N-CA-C 109.135 -0.691 . . . . 0.7 109.135 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -34.11 67.8 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.945 0.721 . . . . 1.23 112.945 -178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -93.1 83.17 4.63 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.745 0.418 . . . . 1.94 110.104 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -86.29 -30.99 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 CA-C-N 116.179 -0.464 . . . . 0.6 111.97 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.42 -55.84 8.32 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-O 119.825 -0.431 . . . . 0.67 113.46 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 43.6 t -88.55 69.11 8.86 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.19 0.519 . . . . 0.92 111.035 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 56' ' ' LEU . 1.3 tm? -76.53 -21.19 56.05 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.998 -0.546 . . . . 1.24 111.146 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -56.62 -25.7 53.87 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.655 0.983 . . . . 0.73 113.655 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -59.26 -38.14 79.36 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 117.754 0.252 . . . . 1.1 111.072 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -94.91 -37.16 11.31 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.745 0.418 . . . . 1.47 110.572 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 40.9 ttp -49.79 -43.25 48.23 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 123.527 0.731 . . . . 0.81 112.76 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -67.01 -35.02 79.01 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 122.181 0.192 . . . . 2.39 111.199 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -73.47 -25.95 60.7 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.616 0.367 . . . . 0.63 111.615 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' B' ' 79' ' ' LEU . 60.1 mt -74.65 -66.03 0.79 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 122.55 0.34 . . . . 0.69 110.833 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -77.5 76.43 4.04 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 109.779 -0.452 . . . . 1.32 109.779 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -81.69 -29.79 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 115.89 -0.595 . . . . 0.72 111.719 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -74.47 -26.96 60.35 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 111.805 0.298 . . . . 1.38 111.805 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 67.24 72.22 0.35 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.804 0.842 . . . . 2.02 111.097 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -140.05 15.09 2.45 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-N 115.438 -0.801 . . . . 1.3 111.745 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 69.3 m 57.53 26.1 12.32 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.331 0.652 . . . . 1.35 112.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -143.09 121.28 12.2 Favored 'General case' 0 C--N 1.35 0.63 0 N-CA-C 109.361 -0.607 . . . . 2.4 109.361 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -95.33 86.9 4.65 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.281 0.363 . . . . 1.13 110.901 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.5 tttm -66.14 171.41 4.68 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 108.842 -0.799 . . . . 1.81 108.842 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -65.61 -23.51 66.84 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.402 1.001 . . . . 1.23 111.677 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -73.69 -32.02 63.72 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.346 -0.613 . . . . 0.99 109.346 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -81.73 -47.27 13.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 123.254 0.621 . . . . 0.93 109.663 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.477 ' HA ' HD22 ' B' ' 63' ' ' LEU . 33.7 t80 -67.71 -16.84 64.34 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.639 0.775 . . . . 0.71 111.833 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -50.89 -34.58 28.89 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.35 1.06 . . . . 1.54 112.694 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.622 ' HB2' HD23 ' B' ' 63' ' ' LEU . 28.6 mmm-85 -64.45 -32.32 73.89 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.382 -0.342 . . . . 2.15 111.846 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.659 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.5 tp -81.43 -30.82 33.39 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 119.389 -0.339 . . . . 0.49 110.584 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 48.1 mm -61.07 -38.96 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 N-CA-C 109.317 -0.623 . . . . 0.56 109.317 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.71 80.77 Favored Glycine 0 C--N 1.354 1.564 0 N-CA-C 111.759 -0.537 . . . . 0.42 111.759 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -72.56 -22.89 60.93 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.622 0.369 . . . . 0.91 111.692 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -52.75 39.05 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.755 0.422 . . . . 0.69 110.365 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.52 -18.57 58.65 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 112.295 0.48 . . . . 0.55 112.295 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -84.8 -35.6 22.23 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.967 0.507 . . . . 1.1 111.452 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -92.85 38.84 1.03 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 111.926 0.343 . . . . 1.68 111.926 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -44.37 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.629 0.371 . . . . 0.63 110.601 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.29 -36.02 9.41 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.71 0.404 . . . . 1.64 111.842 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -120.5 43.07 2.83 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 111.799 0.296 . . . . 1.65 111.799 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -62.87 -44.18 96.8 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 122.474 -0.141 . . . . 2.03 111.34 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -124.21 72.57 1.18 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 109.217 -0.66 . . . . 1.36 109.217 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.27 70.44 5.67 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-O 121.478 0.656 . . . . 1.72 110.712 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -167.55 -49.72 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 115.36 -0.837 . . . . 1.27 110.694 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -99.48 -49.04 4.56 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.092 0.557 . . . . 1.61 111.178 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -120.32 127.77 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.892 0.477 . . . . 1.04 111.285 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -134.76 35.2 3.13 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.084 0.402 . . . . 2.42 112.084 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -162.85 108.62 1.16 Allowed 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 120.753 0.311 . . . . 1.86 111.565 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 51.7 tttp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.293 -0.861 . . . . 1.85 110.079 179.408 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.407 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.1 0 N-CA-C 112.769 0.655 . . . . 2.71 112.769 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.28 150.06 50.22 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.923 0.489 . . . . 1.02 110.432 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.46 129.45 38.4 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 122.367 0.267 . . . . 0.7 111.529 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.49 135.97 14.29 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 122.957 0.503 . . . . 1.02 110.464 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -76.13 143.15 25.32 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.391 2.061 . . . . 0.74 113.688 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.61 -62.0 0.71 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.908 0.483 . . . . 1.19 110.924 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.6 m -111.64 164.87 12.54 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.677 0.791 . . . . 0.98 110.224 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.89 -43.5 94.77 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.416 0.525 . . . . 1.42 112.416 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD11 HD11 ' B' ' 41' ' ' LEU . 79.5 mt -72.86 -29.98 63.62 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.623 0.231 . . . . 0.65 111.623 179.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.78 -40.99 65.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.603 -0.518 . . . . 1.03 109.603 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.33 -27.88 69.62 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 122.998 0.519 . . . . 0.81 111.741 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -61.79 -42.77 99.43 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.29 0.236 . . . . 0.63 111.367 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -93.61 -17.02 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.179 0.437 . . . . 0.56 112.179 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -81.23 -39.89 24.66 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.119 0.568 . . . . 1.0 111.502 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.7 m -61.55 -31.86 71.91 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.562 0.345 . . . . 0.77 111.462 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.49 -31.03 50.9 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.089 0 C-N-CA 122.506 0.322 . . . . 0.5 110.49 178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.11 -65.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 C-N-CA 123.145 0.578 . . . . 0.95 110.984 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.0 p -55.11 -34.01 63.32 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 114.805 1.409 . . . . 0.62 114.805 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 m -72.97 -46.84 50.08 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 113.113 0.783 . . . . 0.66 113.113 -177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.91 -22.29 17.52 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 114.031 1.123 . . . . 0.95 114.031 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 2.5 m-85 -58.8 -21.54 56.4 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 119.279 0.945 . . . . 3.17 112.629 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.4 m -64.49 -35.73 81.9 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 110.154 -0.313 . . . . 1.37 110.154 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -91.22 -32.64 15.7 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.989 0.516 . . . . 1.55 110.76 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' A' ' 21' ' ' PHE . . . -72.31 -18.18 61.8 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.435 0.902 . . . . 0.83 113.435 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -86.15 10.3 14.89 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 113.158 0.799 . . . . 1.55 113.158 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -80.43 -36.8 33.18 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.707 0.403 . . . . 1.8 112.004 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -96.78 -175.02 3.16 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.759 0.424 . . . . 1.59 111.278 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.76 140.55 25.67 Favored Glycine 0 C--N 1.363 2.035 0 N-CA-C 114.37 0.508 . . . . 0.92 114.37 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? 64.76 120.4 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.259 1.024 . . . . 2.6 110.597 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -71.36 -27.79 63.6 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 111.911 0.337 . . . . 1.22 111.911 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -98.03 54.73 1.13 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.583 0.353 . . . . 1.43 110.701 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.2 p -157.17 152.76 26.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.202 0.445 . . . . 1.09 112.202 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.42 124.04 48.88 Favored 'General case' 0 C--N 1.35 0.612 0 N-CA-C 109.369 -0.604 . . . . 0.76 109.369 178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.2 t -59.79 153.72 19.96 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 112.204 0.446 . . . . 0.68 112.204 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.91 -28.36 42.76 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.054 0 N-CA-C 112.628 0.603 . . . . 0.64 112.628 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -94.79 -22.53 18.01 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.469 0.544 . . . . 0.82 112.469 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.97 -30.41 21.3 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.601 0.593 . . . . 1.54 112.601 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -72.49 -36.87 68.52 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 117.781 0.264 . . . . 0.65 111.121 179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -64.53 -40.16 95.1 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.231 0.612 . . . . 0.87 111.389 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.33 -29.06 63.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.875 0.47 . . . . 0.73 111.609 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.1 tp -66.91 -36.99 83.53 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.483 0.313 . . . . 0.65 110.708 178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -73.94 -25.41 20.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 C-N-CA 122.77 0.428 . . . . 0.45 111.08 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -103.55 27.36 7.47 Favored 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 112.434 0.531 . . . . 0.8 112.434 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -153.12 -63.37 0.15 Allowed 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.704 -0.623 . . . . 1.1 112.118 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -99.03 -6.96 27.55 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.44 0.533 . . . . 0.84 112.44 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -140.6 47.47 1.14 Allowed Pre-proline 0 CA--C 1.564 1.487 0 CA-C-N 118.149 0.431 . . . . 0.67 111.801 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 77.2 Cg_endo -86.87 -34.6 0.13 Allowed 'Trans proline' 0 C--N 1.383 2.381 0 C-N-CA 122.404 2.069 . . . . 0.52 115.469 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -74.44 -19.93 60.22 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.703 0.631 . . . . 0.85 112.703 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.4 tp -74.13 -56.5 4.84 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.648 0.379 . . . . 0.87 110.787 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.8 mt -95.48 117.93 31.28 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.649 -0.5 . . . . 0.73 109.649 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -63.01 -29.56 70.92 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.378 0.51 . . . . 1.32 112.378 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -97.54 92.97 6.18 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 110.047 -0.353 . . . . 2.08 110.047 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.6 m -97.78 -36.94 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 N-CA-C 112.06 0.392 . . . . 0.71 112.06 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.66 -51.75 6.98 Favored Glycine 0 C--N 1.352 1.461 0 CA-C-O 119.886 -0.397 . . . . 0.83 112.98 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.5 t -87.96 75.84 8.72 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 121.038 0.446 . . . . 0.85 110.194 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.49 0.64 57.24 Favored 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.883 -0.599 . . . . 1.22 112.167 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.01 -27.59 67.55 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.096 0.776 . . . . 0.77 113.096 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.79 -43.11 89.74 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 111.562 0.208 . . . . 1.09 111.562 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -86.64 -33.02 20.25 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.574 -0.251 . . . . 1.55 110.973 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 58.7 ttp -58.53 -39.91 81.45 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 122.874 0.47 . . . . 0.84 112.181 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt -67.59 -35.73 79.53 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 122.923 0.14 . . . . 2.56 111.077 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.4 m -67.79 -35.79 79.28 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 122.331 0.252 . . . . 0.61 110.922 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 79' ' ' LEU . 27.7 mt -69.94 -53.89 15.82 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.891 0.477 . . . . 0.68 111.189 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -80.51 77.83 7.28 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 121.215 0.531 . . . . 1.39 110.37 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.9 p -91.12 -35.89 7.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 115.44 -0.8 . . . . 0.73 111.605 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.46 -19.56 52.85 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 111.889 0.329 . . . . 1.44 111.889 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 66.41 56.97 0.74 Allowed 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.682 0.793 . . . . 1.96 111.614 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -120.28 19.07 12.2 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 112.037 0.384 . . . . 1.41 112.037 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 t 70.34 -66.71 0.27 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.848 0.859 . . . . 1.31 111.844 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -72.77 133.75 44.66 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 117.922 0.328 . . . . 2.42 111.15 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -88.87 95.09 10.16 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.936 -0.575 . . . . 0.95 110.396 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -66.56 158.36 29.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 108.982 -0.747 . . . . 1.89 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -27.9 63.67 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.7 0.682 . . . . 1.2 112.602 -178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -69.65 -34.44 74.0 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.775 -0.454 . . . . 0.98 109.775 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.95 -36.11 25.44 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.08 0.552 . . . . 1.03 110.253 177.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.662 ' HA ' HD22 ' A' ' 63' ' ' LEU . 22.7 t80 -69.77 -13.19 62.16 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.571 0.748 . . . . 0.69 111.979 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -24.13 22.7 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 123.641 0.776 . . . . 1.62 112.879 178.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.9 mmm-85 -70.82 -26.76 63.44 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-N 118.448 0.567 . . . . 1.96 111.733 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.743 ' HB2' HD21 ' A' ' 63' ' ' LEU . 12.5 tp -93.99 -32.53 13.8 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.99 0.516 . . . . 0.53 110.389 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.8 mm -57.0 -38.5 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 109.557 -0.535 . . . . 0.61 109.557 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.46 81.87 Favored Glycine 0 C--N 1.355 1.611 0 N-CA-C 111.463 -0.655 . . . . 0.47 111.463 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -65.39 -34.04 77.38 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.924 0.49 . . . . 0.86 111.34 178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.8 mp -64.93 -43.32 93.15 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 110.08 -0.341 . . . . 0.67 110.08 177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.56 -31.08 59.91 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 116.072 -0.513 . . . . 0.55 112.367 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.48 -36.58 24.03 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.089 0.774 . . . . 0.96 113.089 -178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -88.34 33.99 0.75 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 113.096 0.776 . . . . 1.65 113.096 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.54 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -102.58 -36.34 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 122.595 0.358 . . . . 0.66 111.142 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.504 ' HD2' HG11 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -114.47 -37.83 4.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.026 0.751 . . . . 1.74 113.026 -178.668 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -119.37 47.31 1.72 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.598 0.592 . . . . 1.52 112.598 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -36.25 78.28 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 116.487 -0.324 . . . . 1.87 110.834 178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.48 51.44 1.92 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.341 0.656 . . . . 1.53 109.645 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -48.59 -33.56 9.99 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.384 1.253 . . . . 1.81 114.384 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.0 tp -78.24 -40.46 37.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 111.609 0.225 . . . . 1.24 111.609 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -80.99 -66.17 0.92 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.625 0.37 . . . . 1.73 111.183 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.7 pt -121.73 130.84 74.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 122.652 0.381 . . . . 1.06 110.622 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -130.76 42.34 3.26 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.631 0.604 . . . . 2.26 112.631 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -156.21 100.56 2.01 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.486 0.314 . . . . 1.74 110.647 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.9 tttp . . . . . 0 N--CA 1.476 0.841 0 CA-C-N 116.533 -0.303 . . . . 1.71 110.584 -179.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 112.685 0.624 . . . . 1.75 112.685 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 146.96 25.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.613 0.365 . . . . 0.78 111.158 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.47 147.59 35.81 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 116.48 -0.327 . . . . 0.69 110.946 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -132.62 138.3 31.75 Favored Pre-proline 0 CA--C 1.55 0.956 0 CA-C-O 119.259 -0.401 . . . . 1.1 111.385 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.31 114.3 2.62 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.666 2.244 . . . . 0.83 112.74 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.6 mt -113.51 -153.22 0.52 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 122.996 0.518 . . . . 1.24 110.288 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -61.28 161.21 9.33 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.705 0.684 . . . . 1.06 111.394 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -37.84 -58.21 0.94 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 114.971 1.471 . . . . 1.51 114.971 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.22 -29.47 66.3 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.587 0.63 . . . . 0.65 112.26 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -79.24 -27.57 42.42 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.617 0.367 . . . . 0.95 110.954 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -83.98 -25.57 29.91 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.486 0.714 . . . . 0.85 111.426 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.4 m -61.49 -48.07 82.74 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.48 0.312 . . . . 0.56 110.999 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.406 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -76.47 -21.33 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 C-N-CA 122.47 0.308 . . . . 0.53 111.338 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.406 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.6 tm-20 -72.45 -34.1 67.51 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.15 0.58 . . . . 1.0 111.429 178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -56.32 -30.93 63.19 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.758 0.423 . . . . 0.88 111.89 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.86 -28.5 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.918 0.487 . . . . 0.56 110.847 178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.504 HG11 ' HD2' ' A' ' 88' ' ' ARG . 4.3 t -99.92 35.43 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.414 0 C-N-CA 123.084 0.554 . . . . 0.97 110.781 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 39.4 p -147.14 -47.88 0.18 Allowed 'General case' 0 N--CA 1.478 0.97 0 O-C-N 122.112 -0.368 . . . . 0.67 111.787 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -69.26 -47.56 64.28 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.559 0.344 . . . . 0.69 111.744 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -100.58 -10.93 20.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.461 0.911 . . . . 1.02 113.461 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -60.34 -30.88 69.82 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-N 119.002 0.819 . . . . 3.08 112.085 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -64.6 -37.74 88.6 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 122.762 0.425 . . . . 1.37 111.333 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -84.6 -31.0 24.53 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 122.747 0.419 . . . . 1.54 111.155 179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.96 -31.97 72.07 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 112.562 0.579 . . . . 0.85 112.562 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -77.88 -11.62 59.91 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 113.019 0.748 . . . . 1.73 113.019 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.27 -33.32 69.28 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 118.01 0.368 . . . . 1.68 111.734 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -97.2 -170.55 2.04 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.953 0.501 . . . . 1.45 110.068 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.73 144.52 41.03 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 114.1 0.4 . . . . 0.86 114.1 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? 65.69 141.34 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.24 1.016 . . . . 2.62 112.064 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -75.36 -53.32 8.93 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 116.054 -0.521 . . . . 1.11 111.487 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -92.87 57.69 2.86 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 122.656 0.382 . . . . 1.36 110.444 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.8 t -150.78 120.43 6.99 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 116.404 -0.362 . . . . 1.13 111.647 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.1 mp -89.03 129.59 35.64 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.347 -0.612 . . . . 0.79 109.347 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -66.79 153.18 44.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 111.877 0.325 . . . . 0.69 111.877 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 p -63.32 -28.7 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 112.486 0.551 . . . . 0.71 112.486 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -92.35 -34.59 14.13 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 111.719 0.266 . . . . 0.83 111.719 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.62 -33.15 73.54 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 112.636 0.606 . . . . 1.61 112.636 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.81 -31.67 61.77 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.878 0.308 . . . . 0.66 111.013 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -64.48 -39.49 93.91 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.371 0.269 . . . . 0.81 110.741 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.83 -30.89 67.44 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.977 0.511 . . . . 0.69 110.601 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.417 HD11 HD11 ' A' ' 9' ' ' LEU . 32.8 tp -67.1 -35.67 80.28 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.089 0.556 . . . . 0.68 111.399 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -75.59 -34.02 28.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 122.543 0.337 . . . . 0.48 111.292 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -98.83 39.55 1.26 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.036 0.384 . . . . 0.83 112.036 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -163.66 -55.11 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.074 0.398 . . . . 0.98 112.074 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -105.75 -15.42 14.96 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.845 0.683 . . . . 0.73 112.845 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tp -135.44 44.02 1.03 Allowed Pre-proline 0 CA--C 1.56 1.359 0 N-CA-C 112.177 0.436 . . . . 0.62 112.177 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.34 -32.1 1.03 Allowed 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.949 1.766 . . . . 0.48 114.858 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -74.46 -32.73 62.68 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 112.777 0.658 . . . . 0.81 112.777 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.59 -55.11 9.57 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.299 0.239 . . . . 0.88 111.4 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -89.13 109.24 20.13 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.803 -0.443 . . . . 0.7 109.803 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -55.4 -35.48 65.39 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 112.922 0.712 . . . . 1.23 112.922 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -96.23 92.76 6.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.366 0.266 . . . . 1.94 110.427 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 27.9 m -87.51 -43.05 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 116.526 -0.306 . . . . 0.6 111.248 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.82 -17.67 50.81 Favored Glycine 0 C--N 1.352 1.442 0 CA-C-O 119.621 -0.544 . . . . 0.67 113.464 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 16.4 t -104.91 43.97 1.06 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 117.367 0.584 . . . . 0.92 111.101 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.94 68.36 7.3 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-O 121.331 0.586 . . . . 1.24 109.537 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -119.92 -41.52 2.66 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.61 -0.723 . . . . 0.73 110.874 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.75 -37.28 83.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.308 0.243 . . . . 1.1 110.625 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -82.49 -34.21 28.08 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.514 0.326 . . . . 1.47 110.847 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . 0.476 ' HA ' HD12 ' B' ' 63' ' ' LEU . 49.0 ttp -63.03 -37.84 88.79 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 112.121 0.415 . . . . 0.81 112.121 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -71.34 -38.23 71.64 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.148 0.179 . . . . 2.39 110.652 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 54.2 m -72.32 -26.56 61.99 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 123.168 0.293 . . . . 0.63 110.566 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.585 HD21 ' HB2' ' B' ' 79' ' ' LEU . 12.8 mt -69.7 -63.57 1.05 Allowed 'General case' 0 C--N 1.356 0.875 0 C-N-CA 123.622 0.769 . . . . 0.69 111.353 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.88 77.38 5.35 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 121.092 0.472 . . . . 1.32 110.346 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -85.03 -31.39 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.989 0 CA-C-N 116.015 -0.539 . . . . 0.72 111.449 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -70.62 -28.04 64.53 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 111.822 0.304 . . . . 1.38 111.822 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 62.29 77.65 0.32 Allowed 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.595 0.758 . . . . 2.02 111.655 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -129.06 -70.62 0.66 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.828 0.451 . . . . 1.3 110.603 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -177.43 -50.53 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.137 0.575 . . . . 1.35 111.277 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -113.52 148.17 36.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.816 0.446 . . . . 2.4 110.503 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -78.33 103.54 8.34 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.695 -0.23 . . . . 1.13 111.355 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.5 tttm -66.74 164.98 15.94 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.007 -0.738 . . . . 1.81 109.007 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.2 -27.64 68.57 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-N 119.065 0.848 . . . . 1.23 111.684 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.03 -37.53 69.71 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 109.742 -0.466 . . . . 0.99 109.742 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.57 -33.39 41.78 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 122.76 0.424 . . . . 0.93 111.118 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -77.95 -9.78 59.27 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.736 0.414 . . . . 0.71 111.988 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -56.39 -24.53 45.22 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 123.578 0.751 . . . . 1.54 111.935 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.479 ' HB2' HD23 ' B' ' 63' ' ' LEU . 63.6 mmt-85 -64.9 -42.1 95.04 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.918 0.487 . . . . 2.15 112.074 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.585 ' HB2' HD21 ' B' ' 63' ' ' LEU . 5.9 tp -75.25 -30.74 60.58 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 119.516 -0.278 . . . . 0.49 111.457 -179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.7 mm -58.83 -38.34 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 N-CA-C 109.671 -0.492 . . . . 0.56 109.671 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.49 -34.41 44.91 Favored Glycine 0 C--N 1.36 1.867 0 O-C-N 123.384 0.428 . . . . 0.42 112.032 177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -71.43 -31.55 67.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.989 0.516 . . . . 0.91 110.451 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.8 mp -60.09 -48.9 79.8 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 123.386 0.674 . . . . 0.69 110.717 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.33 -24.39 54.28 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.046 0.387 . . . . 0.55 112.046 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.67 -35.31 65.21 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.468 0.307 . . . . 1.1 111.58 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -100.09 37.34 1.66 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 122.838 0.455 . . . . 1.68 112.131 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.494 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -101.82 -39.81 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 122.841 0.457 . . . . 0.63 110.084 178.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.56 -36.21 4.65 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.177 0.436 . . . . 1.64 112.177 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -120.16 58.28 0.92 Allowed 'General case' 0 C--N 1.355 0.81 0 N-CA-C 112.187 0.44 . . . . 1.65 112.187 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -34.23 38.8 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 109.326 -0.62 . . . . 2.03 109.326 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -138.05 63.14 1.55 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 108.661 -0.866 . . . . 1.36 108.661 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -59.17 -32.68 70.11 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 113.414 0.894 . . . . 1.72 113.414 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 6.5 tp -74.22 -36.9 63.98 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.137 0.421 . . . . 1.27 112.137 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -84.37 -41.96 16.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.757 0.423 . . . . 1.61 112.047 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.6 pt -135.63 157.2 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.798 0.439 . . . . 1.04 111.39 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -148.51 42.48 0.99 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 112.858 0.688 . . . . 2.42 112.858 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -177.04 115.29 0.1 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 111.734 0.272 . . . . 1.86 111.734 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 36.1 tttp . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.08 -0.962 . . . . 1.85 110.701 179.118 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.437 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.5 2.061 0 N-CA-C 112.925 0.713 . . . . 2.71 112.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.88 158.05 15.74 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.735 0.414 . . . . 1.02 110.325 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.03 122.4 44.08 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 111.821 0.304 . . . . 0.7 111.821 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -119.91 139.2 27.84 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 123.359 0.664 . . . . 1.02 110.408 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -85.49 140.24 7.21 Favored 'Trans proline' 0 C--N 1.38 2.205 0 C-N-CA 122.562 2.175 . . . . 0.74 113.149 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.6 mt -133.57 -58.03 0.88 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.891 0.476 . . . . 1.19 111.201 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -107.23 157.99 17.47 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.328 0.651 . . . . 0.98 110.06 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -56.67 -44.97 81.92 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.866 0.466 . . . . 1.42 112.188 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.31 -31.52 67.53 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 119.719 -0.182 . . . . 0.65 111.48 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.37 -32.98 64.81 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.199 -0.297 . . . . 1.03 110.199 177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -70.06 -26.7 64.13 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 122.6 0.36 . . . . 0.81 110.823 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.3 m -62.04 -42.55 99.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.5 0.32 . . . . 0.63 111.135 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.9 pp -89.3 -13.58 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 112.098 0.407 . . . . 0.56 112.098 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -82.85 -43.23 16.86 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.723 0.409 . . . . 1.0 110.781 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -59.67 -34.22 72.56 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.017 0.527 . . . . 0.77 112.181 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.03 -26.17 31.66 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 C-N-CA 122.643 0.377 . . . . 0.5 111.156 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.6 t -82.54 -72.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 122.678 0.391 . . . . 0.95 111.904 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.2 p -50.58 -36.42 34.65 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.654 1.353 . . . . 0.62 114.654 -176.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.6 m -64.84 -42.68 94.71 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 112.952 0.723 . . . . 0.66 112.952 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -102.78 -30.13 11.06 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.158 0.799 . . . . 0.95 113.158 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' HA ' ' HB3' ' A' ' 24' ' ' ALA . 7.3 m-85 -63.51 -17.84 63.18 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 113.115 0.783 . . . . 3.17 113.115 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.5 m -62.71 -34.3 76.88 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.187 0.448 . . . . 1.37 110.372 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -97.95 -21.95 16.57 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.275 0.63 . . . . 1.55 111.545 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 21' ' ' PHE . . . -78.18 -16.6 57.74 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.733 1.012 . . . . 0.83 113.733 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -88.32 6.98 34.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 113.281 0.845 . . . . 1.55 113.281 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -76.92 -31.17 56.48 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.751 0.42 . . . . 1.8 112.051 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -127.88 137.53 52.35 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 122.706 0.402 . . . . 1.59 111.557 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.76 92.04 0.01 OUTLIER Glycine 0 C--N 1.349 1.299 0 N-CA-C 116.093 1.197 . . . . 0.92 116.093 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? 58.82 169.99 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 114.009 1.114 . . . . 2.6 114.009 177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -93.09 -33.53 14.03 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 115.88 -0.6 . . . . 1.22 112.006 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.5 67.36 2.87 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.629 0.372 . . . . 1.43 111.923 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.3 p -169.28 154.44 5.85 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.934 0.716 . . . . 1.09 112.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -101.21 141.78 33.6 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.629 -0.878 . . . . 0.76 108.629 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.1 t -79.89 143.85 33.92 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 117.839 0.291 . . . . 0.68 111.513 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.96 -26.0 33.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 N-CA-C 112.581 0.586 . . . . 0.64 112.581 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -87.02 -32.62 19.92 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.496 0.318 . . . . 0.82 111.044 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -85.42 -22.92 28.13 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 112.822 0.675 . . . . 1.54 112.822 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -35.37 80.22 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-N 118.367 0.531 . . . . 0.65 110.244 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.01 -41.96 63.72 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.978 0.511 . . . . 0.87 110.809 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.97 -34.38 77.98 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.05 0.219 . . . . 0.73 110.867 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 tp -63.58 -38.68 92.06 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.634 0.374 . . . . 0.65 110.775 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.0 t -73.07 -31.94 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 122.763 0.425 . . . . 0.45 111.345 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.67 31.9 4.17 Favored 'General case' 0 CA--C 1.558 1.261 0 N-CA-C 112.058 0.392 . . . . 0.8 112.058 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -151.36 -60.95 0.17 Allowed 'General case' 0 N--CA 1.479 1.021 0 O-C-N 121.923 -0.486 . . . . 1.1 111.919 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -110.23 1.41 18.63 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 112.778 0.658 . . . . 0.84 112.778 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.43 HD11 HD22 ' A' ' 49' ' ' LEU . 7.9 tp -142.22 47.83 0.99 Allowed Pre-proline 0 CA--C 1.561 1.397 0 CA-C-N 118.445 0.566 . . . . 0.67 111.787 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -83.3 -39.17 0.13 Allowed 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.19 1.927 . . . . 0.52 114.822 -179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -73.77 -21.6 60.12 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.791 0.663 . . . . 0.85 112.791 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD11 HD11 ' B' ' 13' ' ' ILE . 12.7 tp -68.67 -52.76 27.58 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.995 0.368 . . . . 0.87 111.995 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.4 mt -96.49 134.68 39.38 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 110.361 -0.237 . . . . 0.73 110.361 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -63.9 -31.47 72.66 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 111.719 0.266 . . . . 1.32 111.719 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -109.99 120.16 41.59 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 122.976 0.51 . . . . 2.08 109.924 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.07 -15.26 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 N-CA-C 112.761 0.652 . . . . 0.71 112.761 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.15 -49.21 1.25 Allowed Glycine 0 C--N 1.353 1.502 0 CA-C-N 117.791 0.269 . . . . 0.83 113.044 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.5 t -86.86 77.93 9.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.974 0.416 . . . . 0.85 111.221 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -99.45 13.77 32.16 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 115.905 -0.589 . . . . 1.22 111.094 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.91 -34.62 78.55 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 112.25 0.463 . . . . 0.77 112.25 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -67.26 -28.38 67.99 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.567 0.347 . . . . 1.09 110.883 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.86 -45.36 8.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.399 0.68 . . . . 1.55 110.984 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.0 ttp -52.16 -43.73 64.23 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.221 0.608 . . . . 0.84 112.301 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -70.61 -37.28 73.82 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 122.924 0.14 . . . . 2.56 111.265 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.1 m -68.73 -31.28 70.22 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.353 0.261 . . . . 0.61 111.107 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 79' ' ' LEU . 41.3 mt -76.01 -55.79 5.27 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.025 0.53 . . . . 0.68 110.883 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -84.6 72.78 10.64 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-O 120.967 0.413 . . . . 1.39 109.931 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.9 p -92.09 -24.38 5.43 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.12 0 CA-C-N 116.062 -0.517 . . . . 0.73 111.527 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -72.34 -28.12 62.84 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.786 0.434 . . . . 1.44 111.8 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 64.78 89.41 0.09 Allowed 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.89 0.876 . . . . 1.96 111.188 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -141.16 -70.13 0.37 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.325 0.25 . . . . 1.41 110.974 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -174.17 -58.78 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.941 0.496 . . . . 1.31 110.507 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -113.73 157.85 21.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.734 0.414 . . . . 2.42 111.319 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 mp -89.32 103.66 16.27 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.754 -0.657 . . . . 0.95 112.022 -177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -68.28 177.82 2.17 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 122.646 0.378 . . . . 1.89 109.997 177.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -68.46 -31.0 69.99 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 118.447 0.567 . . . . 1.2 110.314 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -70.72 -29.43 65.69 Favored 'General case' 0 CA--C 1.552 1.04 0 O-C-N 123.211 0.319 . . . . 0.98 110.634 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -88.21 -40.29 13.8 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 122.789 0.436 . . . . 1.03 110.225 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.667 ' HA ' HD22 ' A' ' 63' ' ' LEU . 68.0 t80 -73.19 -12.95 61.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.37 0.668 . . . . 0.69 111.261 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -53.15 -26.12 15.84 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.433 1.093 . . . . 1.62 113.075 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.684 ' HB2' HD23 ' A' ' 63' ' ' LEU . 26.8 mmm-85 -68.76 -26.96 65.49 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 118.223 0.465 . . . . 1.96 111.821 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 63' ' ' LEU . 9.7 tp -90.57 -31.1 16.84 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 110.085 -0.339 . . . . 0.53 110.085 179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 18.9 mm -51.51 -38.6 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.881 -0.414 . . . . 0.61 109.881 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.38 -41.51 77.61 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 110.86 -0.896 . . . . 0.47 110.86 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -61.94 -34.84 76.84 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.199 0.599 . . . . 0.86 112.037 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.39 -46.11 91.53 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.52 0.328 . . . . 0.67 111.061 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.26 -16.17 44.12 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.643 0.609 . . . . 0.55 112.643 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.14 -29.24 17.38 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 123.268 0.627 . . . . 0.96 111.35 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -86.8 -27.53 23.5 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.816 0.447 . . . . 1.65 112.088 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.471 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -58.82 -46.06 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 117.984 0.357 . . . . 0.66 111.753 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -37.38 24.75 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 119.582 -0.247 . . . . 1.74 111.538 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -152.71 109.87 3.52 Favored 'General case' 0 C--N 1.358 0.968 0 N-CA-C 112.633 0.605 . . . . 1.52 112.633 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.84 -38.19 7.52 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 109.118 -0.697 . . . . 1.87 109.118 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.7 67.89 1.25 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 107.262 -1.385 . . . . 1.53 107.262 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -49.05 -34.51 13.63 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 114.335 1.235 . . . . 1.81 114.335 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.1 tp -81.12 -32.91 33.57 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 112.014 0.376 . . . . 1.24 112.014 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -82.87 -60.74 2.07 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 122.365 0.266 . . . . 1.73 111.401 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -113.99 131.1 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.279 0.631 . . . . 1.06 109.92 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -144.75 37.66 1.19 Allowed 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 113.323 0.86 . . . . 2.26 113.323 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 70.67 0.24 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.225 0.536 . . . . 1.74 111.196 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 tttp . . . . . 0 N--CA 1.47 0.541 0 CA-C-N 115.577 -0.738 . . . . 1.71 110.126 -179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 112.277 0.473 . . . . 1.75 112.277 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.3 165.25 13.19 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 111.865 0.321 . . . . 0.78 111.865 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.586 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -101.59 127.74 48.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.531 0.333 . . . . 0.69 111.434 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -129.94 136.85 29.69 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 123.148 0.579 . . . . 1.1 110.269 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.31 134.75 12.95 Favored 'Trans proline' 0 C--N 1.376 1.987 0 C-N-CA 122.49 2.127 . . . . 0.83 112.818 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -123.18 -59.24 1.59 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.843 0.457 . . . . 1.24 111.474 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -120.72 168.18 11.68 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.453 0.701 . . . . 1.06 109.7 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -55.1 -47.1 75.43 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.864 0.69 . . . . 1.51 112.864 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.84 -36.23 70.11 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.154 0.427 . . . . 0.65 112.154 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -69.71 -43.27 72.74 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 109.816 -0.439 . . . . 0.95 109.816 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.98 -34.88 76.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.513 0.725 . . . . 0.85 111.753 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -59.78 -56.17 25.19 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 111.846 0.313 . . . . 0.56 111.846 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.464 HD11 HD11 ' A' ' 49' ' ' LEU . 2.7 pp -72.88 -25.65 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 117.701 0.228 . . . . 0.53 111.409 178.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.586 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 7.9 tm-20 -69.76 -31.34 69.24 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.406 0.682 . . . . 1.0 111.779 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -61.25 -26.74 67.97 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.524 0.33 . . . . 0.88 111.718 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.1 t -76.36 -26.55 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 122.88 0.472 . . . . 0.56 110.337 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -91.7 10.89 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.569 0 C-N-CA 123.235 0.614 . . . . 0.97 111.856 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 82.5 p -127.51 -43.48 1.59 Allowed 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 112.665 0.617 . . . . 0.67 112.665 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.9 m -68.37 -48.49 64.61 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.522 0.564 . . . . 0.69 112.522 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -93.48 -8.83 40.44 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 113.164 0.801 . . . . 1.02 113.164 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -22.26 61.13 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.326 0.491 . . . . 3.08 112.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -69.86 -34.18 73.25 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.456 0.302 . . . . 1.37 110.99 178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -95.75 -29.5 14.23 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.076 0.55 . . . . 1.54 112.172 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.38 -19.32 58.26 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 113.41 0.893 . . . . 0.85 113.41 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -84.14 0.37 48.84 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.112 0.782 . . . . 1.73 113.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -78.33 -31.72 48.85 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.118 0.414 . . . . 1.68 112.118 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -132.78 141.98 48.77 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.989 0.366 . . . . 1.45 111.989 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.34 81.64 0.07 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 119.57 -0.572 . . . . 0.86 114.096 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? 59.46 171.55 0.07 Allowed 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.59 0.756 . . . . 2.62 112.236 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -90.65 -42.0 11.0 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.679 0.391 . . . . 1.11 111.356 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.98 -23.49 48.37 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.373 0.509 . . . . 1.36 112.373 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' B' ' 72' ' ' LYS . 45.3 t -90.79 147.77 22.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.067 0.766 . . . . 1.13 113.067 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.0 158.87 15.25 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 115.438 -0.801 . . . . 0.79 109.946 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 32.5 t -86.69 154.06 21.26 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 120.562 0.22 . . . . 0.69 111.416 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.86 -20.7 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.17 0 N-CA-C 112.898 0.703 . . . . 0.71 112.898 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -99.47 -36.99 9.38 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.761 0.424 . . . . 0.83 111.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -66.27 -38.67 88.36 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 112.83 0.678 . . . . 1.61 112.83 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.04 -37.94 89.18 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.041 0.382 . . . . 0.66 110.979 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -63.02 -36.77 84.66 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.244 0.34 . . . . 0.81 111.181 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.75 -31.44 68.26 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.407 0.283 . . . . 0.69 110.9 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 tp -69.55 -36.2 76.12 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 122.558 0.343 . . . . 0.68 111.184 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -75.74 -28.98 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 122.682 0.393 . . . . 0.48 111.579 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -92.46 -8.76 43.75 Favored 'General case' 0 CA--C 1.555 1.148 0 N-CA-C 112.818 0.673 . . . . 0.83 112.818 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -123.41 -58.98 1.58 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.929 0.714 . . . . 0.98 112.929 -178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -96.44 -8.67 31.65 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.935 1.087 . . . . 0.73 113.935 -176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 tp -143.24 49.58 1.2 Allowed Pre-proline 0 CA--C 1.559 1.324 0 CA-C-N 118.462 0.574 . . . . 0.62 111.962 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.9 -25.92 1.35 Allowed 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 122.248 1.965 . . . . 0.48 114.849 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -80.58 -19.28 45.94 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 112.854 0.687 . . . . 0.81 112.854 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -78.43 -59.63 2.7 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 118.012 0.369 . . . . 0.88 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 97.6 mt -86.43 114.14 22.95 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.883 -0.784 . . . . 0.7 108.883 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -51.55 -39.12 57.16 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 112.981 0.734 . . . . 1.23 112.981 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -93.29 110.33 21.86 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.356 0.262 . . . . 1.94 110.331 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.3 m -94.98 -31.9 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 122.491 0.317 . . . . 0.6 111.617 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 -49.49 3.29 Favored Glycine 0 C--N 1.355 1.615 0 CA-C-O 119.904 -0.387 . . . . 0.67 112.828 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 t -82.21 90.09 6.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.022 0.439 . . . . 0.92 110.2 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.87 15.92 13.45 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 115.613 -0.722 . . . . 1.24 111.271 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.37 -31.92 60.66 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.203 0.446 . . . . 0.73 112.203 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.51 -38.73 90.57 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.208 0.203 . . . . 1.1 110.888 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.13 -44.54 16.34 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.549 0.339 . . . . 1.47 110.596 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.2 ttp -55.44 -43.44 75.41 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 123.174 0.589 . . . . 0.81 112.152 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -64.21 -38.6 91.61 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.294 0.237 . . . . 2.39 110.584 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.4 m -72.32 -31.12 65.4 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.421 -0.354 . . . . 0.63 111.267 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' B' ' 79' ' ' LEU . 88.0 mt -68.7 -63.21 1.1 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 122.463 0.305 . . . . 0.69 110.951 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.37 77.89 9.1 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-O 121.403 0.62 . . . . 1.32 109.676 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.88 -32.24 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 CA-C-N 115.138 -0.937 . . . . 0.72 111.941 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -70.49 -21.4 62.77 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 112.197 0.443 . . . . 1.38 112.197 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 62.4 59.42 1.55 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.29 0.636 . . . . 2.02 111.39 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -135.59 17.94 3.33 Favored 'General case' 0 CA--C 1.555 1.167 0 CA-C-N 115.985 -0.552 . . . . 1.3 111.851 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m 56.97 31.25 19.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.176 0.59 . . . . 1.35 112.332 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -138.98 126.0 21.16 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.97 0.508 . . . . 2.4 110.438 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.73 68.96 0.86 Allowed 'General case' 0 CA--C 1.544 0.738 0 O-C-N 123.384 0.427 . . . . 1.13 110.38 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.483 ' HA ' ' HA ' ' B' ' 32' ' ' SER . 38.5 tttm -64.0 161.36 16.03 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 118.814 -0.613 . . . . 1.81 110.102 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -53.58 -28.92 34.83 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 118.881 0.764 . . . . 1.23 112.149 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -71.18 -34.23 70.73 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 122.385 0.274 . . . . 0.99 110.432 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.64 -31.33 17.58 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.155 0.582 . . . . 0.93 110.34 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.664 ' HA ' HD22 ' B' ' 63' ' ' LEU . 25.1 t80 -79.98 -8.27 59.26 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.098 0.959 . . . . 0.71 111.171 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -20.17 57.03 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.912 0.885 . . . . 1.54 112.228 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.629 ' HB2' HD23 ' B' ' 63' ' ' LEU . 9.4 mmm-85 -73.45 -27.58 61.5 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 111.843 0.312 . . . . 2.15 111.843 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.786 ' HB2' HD21 ' B' ' 63' ' ' LEU . 12.1 tp -89.19 -32.4 17.47 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.567 0.347 . . . . 0.49 111.478 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 41.0 mm -63.47 -37.4 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 N-CA-C 109.692 -0.484 . . . . 0.56 109.692 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.0 92.42 Favored Glycine 0 C--N 1.356 1.665 0 N-CA-C 111.823 -0.511 . . . . 0.42 111.823 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -77.42 -25.99 51.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.988 0.515 . . . . 0.91 110.958 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.3 -48.12 81.27 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.822 0.449 . . . . 0.69 110.792 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.448 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -74.64 -32.91 62.43 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.218 0.451 . . . . 0.55 112.218 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -73.08 -28.36 62.25 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 122.632 0.373 . . . . 1.1 111.803 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 5.31 33.81 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.332 0.864 . . . . 1.68 113.332 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.89 -36.76 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.582 0.628 . . . . 0.63 110.837 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -107.52 -29.98 8.9 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 113.458 0.911 . . . . 1.64 113.458 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 30.5 pttt -139.34 61.39 1.56 Allowed 'General case' 0 C--N 1.359 1.014 0 N-CA-C 113.478 0.918 . . . . 1.65 113.478 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -35.41 55.34 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 109.774 -0.454 . . . . 2.03 109.774 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -137.51 70.14 1.4 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.214 -1.032 . . . . 1.36 108.214 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -56.86 -33.35 66.74 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 113.614 0.968 . . . . 1.72 113.614 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 5.9 tp -74.07 -44.9 52.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 111.771 0.286 . . . . 1.27 111.771 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -74.43 -48.85 25.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.912 0.485 . . . . 1.61 111.508 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 46.0 pt -127.83 145.41 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.228 0.611 . . . . 1.04 110.882 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -141.84 27.81 1.8 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.701 0.63 . . . . 2.42 112.701 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.75 101.33 0.57 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 122.181 -0.325 . . . . 1.86 111.759 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.087 -0.959 . . . . 1.85 109.976 178.735 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptt? . . . . . 0 N--CA 1.499 1.994 0 CA-C-O 120.703 0.287 . . . . 2.71 111.567 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.3 150.87 39.82 Favored 'General case' 0 C--N 1.348 0.541 0 C-N-CA 122.689 0.396 . . . . 1.02 111.048 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.19 107.05 15.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.473 -0.331 . . . . 0.7 110.247 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -106.18 129.73 24.09 Favored Pre-proline 0 CA--C 1.545 0.765 0 CA-C-O 119.078 -0.487 . . . . 1.02 110.218 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.67 126.03 21.1 Favored 'Trans proline' 0 C--N 1.379 2.172 0 C-N-CA 122.785 2.323 . . . . 0.74 114.232 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 90.0 mt -125.16 -164.22 1.27 Allowed 'General case' 0 CA--C 1.555 1.163 0 C-N-CA 123.799 0.84 . . . . 1.19 109.551 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.0 m -55.67 159.65 2.89 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 118.486 0.584 . . . . 0.98 111.442 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -37.58 -57.98 0.91 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 114.883 1.438 . . . . 1.42 114.883 -178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.15 -31.08 67.27 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.188 0.449 . . . . 0.65 112.176 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.02 -29.8 63.29 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 109.878 -0.415 . . . . 1.03 109.878 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -80.23 -16.95 53.63 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.204 0.602 . . . . 0.81 111.763 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.7 m -57.53 -46.96 83.23 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.562 0.345 . . . . 0.63 111.44 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -87.49 -12.4 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 N-CA-C 111.854 0.316 . . . . 0.56 111.854 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -75.33 -42.47 54.32 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.661 . . . . 1.0 111.33 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.5 m -64.05 -26.36 68.52 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.678 0.391 . . . . 0.77 111.807 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.1 t -73.62 -27.84 23.84 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 122.824 0.45 . . . . 0.5 110.566 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . 33.3 t -90.46 11.93 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 C-N-CA 123.164 0.586 . . . . 0.95 111.438 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.3 p -124.06 -46.84 1.93 Allowed 'General case' 0 N--CA 1.481 1.101 0 O-C-N 121.844 -0.535 . . . . 0.62 111.869 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -62.81 -44.65 95.6 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.567 0.951 . . . . 0.66 113.567 -178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -103.16 -24.96 13.54 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.881 1.067 . . . . 0.95 113.881 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.8 -22.53 66.69 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 112.869 0.692 . . . . 3.17 112.869 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.1 m -69.49 -29.41 67.05 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 117.886 0.312 . . . . 1.37 110.949 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -93.42 -36.5 12.45 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.122 0.569 . . . . 1.55 111.205 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 33' ' ' LEU . . . -75.29 -25.0 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.524 0.935 . . . . 0.83 113.524 -179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.1 ptt180 -60.87 -25.01 66.38 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 113.274 0.842 . . . . 1.55 113.274 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -71.18 -15.7 62.49 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.338 0.866 . . . . 1.8 113.338 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -122.69 105.53 10.15 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 112.956 0.725 . . . . 1.59 112.956 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.87 98.59 0.01 OUTLIER Glycine 0 C--N 1.352 1.432 0 N-CA-C 115.557 0.983 . . . . 0.92 115.557 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 56.77 168.82 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 124.089 0.956 . . . . 2.6 113.346 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -95.47 -8.82 34.29 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.415 0.894 . . . . 1.22 113.415 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -99.84 -31.08 11.69 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.374 0.879 . . . . 1.43 113.374 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.9 p -92.17 158.5 16.14 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.227 0.825 . . . . 1.09 113.227 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . 6.5 mp -97.0 167.52 11.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.627 0.771 . . . . 0.76 110.512 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.3 t -86.4 154.87 20.86 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 122.326 0.25 . . . . 0.68 111.098 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.26 -27.36 15.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 N-CA-C 112.59 0.589 . . . . 0.64 112.59 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -101.53 -40.0 7.25 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.112 0.782 . . . . 0.82 113.112 -178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.19 -26.68 64.01 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.07 0.767 . . . . 1.54 113.07 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -42.29 86.44 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 118.376 0.535 . . . . 0.65 110.691 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.17 -34.83 78.47 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.789 0.436 . . . . 0.87 111.059 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.53 -35.43 80.83 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.268 0.355 . . . . 0.73 110.399 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.44 -39.68 85.41 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.67 0.388 . . . . 0.65 111.196 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.42 -27.59 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 122.651 0.38 . . . . 0.45 111.249 179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.37 26.5 9.78 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 122.525 0.33 . . . . 0.8 111.886 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -145.69 -62.43 0.33 Allowed 'General case' 0 C--N 1.358 0.962 0 O-C-N 122.071 -0.393 . . . . 1.1 111.883 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -103.06 -12.79 17.16 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 112.712 0.634 . . . . 0.84 112.712 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 4.3 tp -130.52 39.41 0.51 Allowed Pre-proline 0 CA--C 1.564 1.493 0 N-CA-C 112.397 0.517 . . . . 0.67 112.397 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 93.6 Cg_endo -80.4 -28.2 3.05 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 122.13 1.886 . . . . 0.52 114.502 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -79.23 -9.85 59.67 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.79 0.663 . . . . 0.85 112.79 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD23 ' HG ' ' A' ' 83' ' ' LEU . 18.6 tp -87.47 -64.42 1.15 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.231 0.469 . . . . 0.87 110.985 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.74 108.8 16.37 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.904 -0.776 . . . . 0.73 108.904 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.12 -38.18 24.18 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 113.548 0.944 . . . . 1.32 113.548 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -104.43 99.18 8.87 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.817 -0.438 . . . . 2.08 109.817 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.9 m -96.24 -31.65 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 122.705 0.402 . . . . 0.71 111.623 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.33 -54.31 9.1 Favored Glycine 0 C--N 1.356 1.684 0 CA-C-O 120.054 -0.303 . . . . 0.83 113.251 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.2 t -90.51 76.63 6.58 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.035 0.445 . . . . 0.85 110.323 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 49.97 0.79 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 108.85 -0.796 . . . . 1.22 108.85 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -106.1 -35.6 7.19 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.83 -0.623 . . . . 0.77 111.111 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.64 -30.47 71.49 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.282 0.233 . . . . 1.09 110.473 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -89.1 -35.3 16.37 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 123.082 0.553 . . . . 1.55 111.175 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -57.74 -38.87 76.11 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 111.967 0.358 . . . . 0.84 111.967 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -66.9 -34.16 77.18 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.173 0.189 . . . . 2.56 110.816 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.2 m -68.42 -35.99 78.42 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.619 0.368 . . . . 0.61 110.881 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 79' ' ' LEU . 33.1 mt -70.82 -59.35 2.85 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 122.278 0.231 . . . . 0.68 110.46 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.58 85.14 6.03 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 120.899 0.381 . . . . 1.39 110.148 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.7 p -102.05 -22.86 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 115.742 -0.663 . . . . 0.73 111.979 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -81.05 -17.98 48.31 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.28 0.474 . . . . 1.44 112.28 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 66.23 86.16 0.13 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.499 0.72 . . . . 1.96 111.176 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -158.58 -78.07 0.07 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 122.825 0.45 . . . . 1.41 110.657 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.1 t 173.58 -43.57 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.155 0.982 . . . . 1.31 110.842 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -73.2 153.25 40.75 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.312 0.645 . . . . 2.42 112.536 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.64 84.92 2.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.79 -0.641 . . . . 0.95 110.144 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -60.72 164.05 5.03 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.229 0.612 . . . . 1.89 109.786 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -29.4 70.72 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.087 0.858 . . . . 1.2 111.826 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -71.36 -29.21 64.7 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 109.373 -0.602 . . . . 0.98 109.373 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.67 -46.03 14.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.494 0.717 . . . . 1.03 109.393 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' HA ' HD22 ' A' ' 63' ' ' LEU . 12.4 t80 -69.34 -15.97 63.44 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.953 0.901 . . . . 0.69 111.67 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -50.75 -31.79 17.78 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 123.845 0.858 . . . . 1.62 111.761 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.625 ' HB2' HD23 ' A' ' 63' ' ' LEU . 1.4 mmt-85 -61.72 -38.79 89.19 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.535 0.334 . . . . 1.96 111.558 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.689 ' HB2' HD21 ' A' ' 63' ' ' LEU . 10.0 tp -84.11 -35.44 23.69 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 119.212 -0.423 . . . . 0.53 111.132 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -53.28 -38.14 30.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 117.923 0.329 . . . . 0.61 110.351 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.69 86.4 Favored Glycine 0 C--N 1.351 1.379 0 N-CA-C 111.028 -0.829 . . . . 0.47 111.028 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.26 -28.69 70.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.532 0.333 . . . . 0.86 111.317 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.423 ' HG ' HD23 ' A' ' 49' ' ' LEU . 7.5 mp -66.6 -52.23 47.58 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 117.857 0.299 . . . . 0.67 110.357 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.09 -12.82 60.01 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 112.974 0.731 . . . . 0.55 112.974 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -93.28 -39.31 11.05 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.029 0.532 . . . . 0.96 110.504 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.25 30.4 2.51 Favored 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 123.164 0.586 . . . . 1.65 111.784 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -45.05 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.65 0.38 . . . . 0.66 110.43 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.57 -36.53 8.75 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.125 0.417 . . . . 1.74 112.125 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -127.96 58.49 1.51 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 112.475 0.546 . . . . 1.52 112.475 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.53 78.92 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 122.24 -0.287 . . . . 1.87 110.802 178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -134.72 73.48 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.191 -1.04 . . . . 1.53 108.191 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -59.28 -34.84 72.75 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.568 0.951 . . . . 1.81 113.568 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 tp -73.9 -39.16 64.06 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.025 0.38 . . . . 1.24 112.025 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -79.09 -56.17 4.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.54 0.336 . . . . 1.73 111.637 -179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.13 148.86 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 122.81 0.444 . . . . 1.06 111.448 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -140.46 42.97 1.88 Allowed 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.539 0.335 . . . . 2.26 111.736 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -168.41 121.19 0.84 Allowed 'General case' 0 N--CA 1.483 1.225 0 N-CA-C 112.068 0.396 . . . . 1.74 112.068 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 55.4 tttp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 1.71 110.684 179.135 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 111.847 0.314 . . . . 1.75 111.847 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.48 149.13 24.01 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 122.8 0.44 . . . . 0.78 111.359 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.02 136.91 36.05 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.412 0.285 . . . . 0.69 111.428 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -138.76 146.18 49.19 Favored Pre-proline 0 CA--C 1.554 1.115 0 C-N-CA 122.871 0.468 . . . . 1.1 110.976 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -80.73 141.57 13.71 Favored 'Trans proline' 0 C--N 1.38 2.222 0 C-N-CA 122.76 2.307 . . . . 0.83 112.811 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 74.4 mt -139.02 -61.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 111.928 0.344 . . . . 1.24 111.928 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.06 169.08 10.85 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.256 0.622 . . . . 1.06 110.548 -178.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.54 -41.33 89.82 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.945 0.498 . . . . 1.51 112.116 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 87.4 mt -78.32 -37.21 45.15 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.362 0.265 . . . . 0.65 111.637 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -70.94 -34.43 71.48 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.581 0.352 . . . . 0.95 111.19 178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -71.44 -35.57 70.96 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 122.471 0.308 . . . . 0.85 110.83 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -56.56 -48.38 77.45 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.734 0.414 . . . . 0.56 111.838 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -76.08 -26.36 17.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 122.393 0.277 . . . . 0.53 111.585 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.6 -32.33 60.28 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.198 0.599 . . . . 1.0 111.952 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.0 m -61.0 -31.63 71.23 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 122.841 0.456 . . . . 0.88 112.105 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -68.37 -32.42 55.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 122.363 0.265 . . . . 0.56 111.08 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 t -84.07 -53.06 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 122.618 0.367 . . . . 0.97 111.436 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.4 p -59.21 -46.4 88.54 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 114.272 1.212 . . . . 0.67 114.272 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -65.36 -48.44 72.95 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 112.833 0.679 . . . . 0.69 112.833 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -92.53 18.61 8.34 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 113.031 0.752 . . . . 1.02 113.031 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -75.27 -26.93 59.18 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 118.646 0.657 . . . . 3.08 110.926 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 31.9 m -60.67 -43.21 97.94 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.82 0.448 . . . . 1.37 110.933 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -80.38 -39.75 27.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.333 0.253 . . . . 1.54 110.778 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.95 -29.99 69.97 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.455 0.909 . . . . 0.85 113.455 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -88.72 9.31 24.81 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.173 0.805 . . . . 1.73 113.173 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -75.07 -37.76 61.52 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 117.969 0.349 . . . . 1.68 110.945 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -110.74 -175.81 2.81 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.267 0.627 . . . . 1.45 110.564 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.19 163.42 2.35 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.744 0.658 . . . . 0.86 114.744 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? 64.53 139.46 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.128 0.971 . . . . 2.62 111.02 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -76.94 -64.85 1.03 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 122.389 -0.194 . . . . 1.11 111.326 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -89.52 71.64 7.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 109.444 -0.576 . . . . 1.36 109.444 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 31.3 t -156.18 141.59 17.61 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.07 -0.514 . . . . 1.13 112.269 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -99.92 141.76 32.3 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.193 0.597 . . . . 0.79 109.476 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.4 t -81.1 161.4 24.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.051 0.141 . . . . 0.69 111.077 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.07 -31.69 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 N-CA-C 112.808 0.67 . . . . 0.71 112.808 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -104.6 25.73 9.93 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 111.893 0.331 . . . . 0.83 111.893 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -121.33 -45.37 2.33 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.942 0.497 . . . . 1.61 111.456 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -65.25 -33.38 75.85 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 117.624 0.193 . . . . 0.66 110.764 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -71.02 -41.67 70.54 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.371 0.419 . . . . 0.81 110.251 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -69.71 -30.0 67.53 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.382 0.273 . . . . 0.69 111.449 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.3 -36.0 78.67 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 110.361 -0.237 . . . . 0.68 110.361 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.0 t -74.02 -23.56 18.87 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 C-N-CA 123.041 0.536 . . . . 0.48 110.89 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.0 m -98.66 -14.36 19.88 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 112.858 0.688 . . . . 0.83 112.858 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -111.3 -60.51 1.83 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.265 0.839 . . . . 0.98 113.265 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -107.57 2.24 23.88 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 114.166 1.173 . . . . 0.73 114.166 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.415 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 0.4 OUTLIER -145.34 47.75 0.71 Allowed Pre-proline 0 CA--C 1.565 1.524 0 CA-C-N 118.697 0.68 . . . . 0.62 112.317 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 60.3 Cg_endo -88.65 -23.93 0.92 Allowed 'Trans proline' 0 C--N 1.381 2.253 0 C-N-CA 122.424 2.083 . . . . 0.48 115.158 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -83.88 -28.18 28.12 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.219 0.452 . . . . 0.81 112.219 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.74 -52.98 20.61 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 111.775 0.287 . . . . 0.88 111.775 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.7 mt -98.68 115.87 29.66 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.527 -0.545 . . . . 0.7 109.527 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -58.39 -39.23 79.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 113.148 0.796 . . . . 1.23 113.148 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -85.07 82.22 8.53 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 117.762 0.255 . . . . 1.94 110.35 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.9 -35.32 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 116.487 -0.324 . . . . 0.6 111.453 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -91.72 -38.04 5.93 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-O 119.801 -0.444 . . . . 0.67 113.197 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -91.65 74.1 5.86 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.172 0.486 . . . . 0.92 110.896 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.57 3.28 34.45 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 115.831 -0.622 . . . . 1.24 111.557 179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -66.42 -27.24 67.68 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.67 0.619 . . . . 0.73 112.67 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -66.1 -47.92 72.6 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.439 0.296 . . . . 1.1 111.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -75.12 -34.35 61.68 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 119.425 -0.321 . . . . 1.47 110.665 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 64.4 ttp -50.94 -42.18 59.55 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 123.272 0.629 . . . . 0.81 112.432 179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -69.62 -41.77 75.22 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.733 0.413 . . . . 2.39 110.916 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -71.43 -30.67 66.32 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.971 0.508 . . . . 0.63 111.809 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' B' ' 78' ' ' ARG . 41.2 mt -70.16 -62.21 1.48 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.134 0.573 . . . . 0.69 110.779 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.93 77.09 6.99 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.269 0.557 . . . . 1.32 110.074 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.3 p -75.61 -29.9 21.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-N 115.377 -0.829 . . . . 0.72 111.488 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -70.01 -33.96 72.69 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.061 0.544 . . . . 1.38 111.902 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 66.07 68.53 0.45 Allowed 'General case' 0 C--N 1.357 0.93 0 C-N-CA 123.291 0.636 . . . . 2.02 110.304 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -111.11 -63.9 1.35 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.963 -0.562 . . . . 1.3 110.8 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.4 t 177.78 -49.75 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 123.488 0.715 . . . . 1.35 110.813 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -115.81 163.15 16.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.265 0.626 . . . . 2.4 111.205 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -96.33 99.03 10.75 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 1.13 110.92 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -69.54 166.3 19.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 107.92 -1.141 . . . . 1.81 107.92 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -20.96 62.49 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.02 0.827 . . . . 1.23 112.316 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -74.63 -29.81 61.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 109.408 -0.59 . . . . 0.99 109.408 175.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -86.27 -41.27 14.74 Favored 'General case' 0 C--N 1.359 1.02 0 C-N-CA 123.332 0.653 . . . . 0.93 109.781 177.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.41 ' HA ' HD22 ' B' ' 63' ' ' LEU . 20.1 t80 -67.58 -17.95 64.82 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.615 0.766 . . . . 0.71 110.563 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.7 t90 -37.98 -43.41 0.71 Allowed 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 126.217 1.807 . . . . 1.54 113.982 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' B' ' 63' ' ' LEU . 18.8 mmm180 -68.69 -32.78 72.84 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 113.198 0.814 . . . . 2.15 113.198 -178.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.497 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.8 tp -73.77 -28.72 61.81 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 118.227 0.467 . . . . 0.49 111.352 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 mm -68.51 -38.82 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 N-CA-C 109.607 -0.516 . . . . 0.56 109.607 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.26 -38.89 88.06 Favored Glycine 0 C--N 1.358 1.804 0 N-CA-C 111.948 -0.461 . . . . 0.42 111.948 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.32 -25.18 54.5 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.681 0.393 . . . . 0.91 110.233 177.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -48.69 80.64 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.189 0.596 . . . . 0.69 110.964 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.36 -25.68 57.92 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.74 0.645 . . . . 0.55 112.74 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -75.98 -35.76 59.49 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 111.799 0.296 . . . . 1.1 111.799 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -79.79 -12.86 59.75 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.993 0.738 . . . . 1.68 112.993 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.443 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.3 OUTLIER -67.33 -42.59 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.686 0.675 . . . . 0.63 111.503 179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -98.96 -43.39 6.72 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.501 0.321 . . . . 1.64 111.405 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -125.27 81.94 2.01 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 112.79 0.663 . . . . 1.65 112.79 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -84.84 -33.19 22.92 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 109.308 -0.627 . . . . 2.03 109.308 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -140.69 75.12 1.49 Allowed 'General case' 0 C--N 1.353 0.738 0 C-N-CA 123.68 0.792 . . . . 1.36 108.907 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -76.44 70.21 2.99 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 121.407 0.622 . . . . 1.72 110.816 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -171.3 -46.7 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.239 -0.891 . . . . 1.27 109.93 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -93.43 -44.83 8.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.214 0.606 . . . . 1.61 110.265 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 10.9 pt -130.59 116.49 35.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.102 0.561 . . . . 1.04 111.296 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -140.3 50.4 1.7 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.939 0.399 . . . . 2.42 111.554 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -161.77 41.14 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 111.828 0.307 . . . . 1.86 111.828 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.01 -0.995 . . . . 1.85 110.757 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.458 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.5 2.058 0 N-CA-C 113.116 0.784 . . . . 2.71 113.116 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.9 136.9 48.45 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 122.896 0.478 . . . . 1.02 110.435 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.22 116.46 22.4 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 120.527 0.203 . . . . 0.7 111.435 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.05 140.76 21.38 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 122.903 0.481 . . . . 1.02 110.711 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -62.95 138.2 66.76 Favored 'Trans proline' 0 C--N 1.379 2.143 0 C-N-CA 122.532 2.155 . . . . 0.74 113.073 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -136.7 -122.87 0.15 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 118.796 -0.621 . . . . 1.19 110.182 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m -72.16 163.59 27.66 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 119.425 1.011 . . . . 0.98 110.651 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.67 -40.4 39.79 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 112.941 0.719 . . . . 1.42 112.941 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 78.3 mt -76.59 -42.22 43.32 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 117.788 0.267 . . . . 0.65 110.982 178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.25 -31.73 72.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.136 0.174 . . . . 1.03 110.755 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -73.32 -28.78 62.27 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.218 0.607 . . . . 0.81 111.36 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.7 m -57.82 -60.59 3.47 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 122.329 0.252 . . . . 0.63 110.858 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.9 pp -66.7 -27.88 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 N-CA-C 111.684 0.253 . . . . 0.56 111.684 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.476 ' N ' HD12 ' A' ' 13' ' ' ILE . 4.2 tm-20 -63.73 -40.86 97.8 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.093 0.557 . . . . 1.0 111.862 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 m -64.41 -33.05 74.97 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.532 0.333 . . . . 0.77 111.127 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.7 t -70.3 -32.42 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.721 0.408 . . . . 0.5 110.995 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.8 t -76.85 -57.23 6.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.048 0.539 . . . . 0.95 111.851 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.1 p -62.5 -29.71 70.74 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 114.418 1.266 . . . . 0.62 114.418 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -75.56 -33.6 60.65 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.67 0.989 . . . . 0.66 113.67 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -107.61 -27.55 10.28 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.312 1.227 . . . . 0.95 114.312 -178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -65.71 -20.17 66.18 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 118.8 0.727 . . . . 3.17 112.39 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.0 m -70.37 -31.33 68.53 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.409 0.284 . . . . 1.37 111.339 178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -98.99 -28.71 13.29 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 122.737 0.415 . . . . 1.55 112.068 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.68 -23.36 49.61 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.626 0.972 . . . . 0.83 113.626 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -64.27 -24.38 67.64 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 114.085 1.142 . . . . 1.55 114.085 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -72.61 -25.18 61.22 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.369 0.877 . . . . 1.8 113.369 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -77.07 -41.66 41.41 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 113.077 0.769 . . . . 1.59 113.077 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.91 122.69 0.69 Allowed Glycine 0 C--N 1.349 1.261 0 C-N-CA 120.882 -0.675 . . . . 0.92 113.227 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? 62.96 141.74 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.798 0.839 . . . . 2.6 111.091 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.81 -38.96 57.65 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.027 0.751 . . . . 1.22 113.027 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -96.67 27.88 3.68 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.155 0.428 . . . . 1.43 112.155 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -135.03 145.7 48.29 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 122.899 0.479 . . . . 1.09 110.794 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.5 mp -99.15 162.46 13.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.978 0.511 . . . . 0.76 110.646 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 t -87.43 165.93 15.19 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.718 0.407 . . . . 0.68 111.612 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -89.51 -25.68 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 122.883 0.473 . . . . 0.64 112.003 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -97.52 -38.81 9.43 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 111.851 0.315 . . . . 0.82 111.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -70.12 -35.48 74.13 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 112.446 0.536 . . . . 1.54 112.446 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -27.92 67.79 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.987 0.358 . . . . 0.65 111.124 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -68.07 -36.93 80.63 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 122.63 0.372 . . . . 0.87 110.099 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -70.03 -33.59 72.18 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.792 0.437 . . . . 0.73 110.455 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -61.06 -38.41 86.11 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.255 0.622 . . . . 0.65 111.414 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' HA ' ' HB3' ' A' ' 46' ' ' LEU . 51.1 t -81.64 -24.27 9.95 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 122.696 0.398 . . . . 0.45 111.399 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.4 m -90.89 -3.38 57.39 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.662 0.616 . . . . 0.8 112.662 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -131.75 -56.14 1.0 Allowed 'General case' 0 C--N 1.36 1.041 0 N-CA-C 112.805 0.669 . . . . 1.1 112.805 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -99.81 2.53 44.08 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.543 0.942 . . . . 0.84 113.543 -178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 42' ' ' VAL . 4.5 tp -146.67 47.56 0.61 Allowed Pre-proline 0 CA--C 1.563 1.445 0 CA-C-N 118.254 0.479 . . . . 0.67 111.327 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 89.5 Cg_endo -82.5 -43.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.315 2.01 . . . . 0.52 114.326 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -63.2 -34.45 77.67 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.919 0.34 . . . . 0.85 111.919 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.9 tp -67.39 -55.44 13.72 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.582 0.353 . . . . 0.87 110.453 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.6 mt -113.58 81.85 1.58 Allowed 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.702 -0.851 . . . . 0.73 108.702 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -57.49 -33.53 68.1 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.804 1.039 . . . . 1.32 113.804 -178.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.25 78.4 6.92 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-O 121.054 0.454 . . . . 2.08 110.095 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.2 m -72.14 -32.48 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 115.897 -0.592 . . . . 0.71 112.292 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.13 -38.69 59.22 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-O 119.693 -0.504 . . . . 0.83 113.516 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.3 t -90.95 53.2 2.32 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 117.248 0.524 . . . . 0.85 111.287 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.56 -17.76 33.19 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 116.513 -0.312 . . . . 1.22 110.458 178.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -60.31 -31.53 70.36 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 122.626 0.371 . . . . 0.77 111.154 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -58.42 -36.86 74.26 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.851 0.46 . . . . 1.09 110.633 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -89.1 -39.28 13.73 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.897 0.479 . . . . 1.55 110.5 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.3 ttp -57.08 -33.98 67.82 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.173 0.589 . . . . 0.84 112.131 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -65.91 -37.21 85.49 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 122.349 0.26 . . . . 2.56 110.591 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.9 m -74.96 -31.13 61.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.859 0.464 . . . . 0.61 111.044 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 79' ' ' LEU . 60.8 mt -76.11 -59.38 2.78 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 122.351 0.261 . . . . 0.68 110.593 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -80.97 73.41 8.0 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 121.078 0.466 . . . . 1.39 110.299 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 p -96.82 -34.0 4.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 115.881 -0.599 . . . . 0.73 111.531 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -73.55 -27.89 61.58 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.553 0.341 . . . . 1.44 111.106 178.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 67.46 78.44 0.24 Allowed 'General case' 0 C--N 1.365 1.249 0 C-N-CA 124.216 1.006 . . . . 1.96 111.836 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -143.33 8.45 1.59 Allowed 'General case' 0 CA--C 1.554 1.119 0 CA-C-N 115.885 -0.598 . . . . 1.41 112.157 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t 61.09 18.33 8.91 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.294 0.638 . . . . 1.31 112.516 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -139.28 112.96 8.44 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.316 -0.624 . . . . 2.42 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.1 mp -81.8 83.69 7.08 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.079 0.237 . . . . 0.95 111.624 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -60.97 164.86 4.55 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 109.056 -0.72 . . . . 1.89 109.056 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' B' ' 84' ' ' ALA . 12.3 t80 -63.69 -24.75 67.9 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-N 119.126 0.876 . . . . 1.2 112.273 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -72.6 -29.08 63.19 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 109.489 -0.56 . . . . 0.98 109.489 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.63 -40.69 15.93 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.547 -0.538 . . . . 1.03 109.547 177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -71.66 -16.31 62.25 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.342 0.657 . . . . 0.69 111.267 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -53.53 -32.29 49.9 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.529 1.132 . . . . 1.62 112.666 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.547 ' HB2' HD23 ' A' ' 63' ' ' LEU . 53.4 mmm-85 -69.02 -26.03 64.79 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 112.584 0.587 . . . . 1.96 112.584 179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 63' ' ' LEU . 12.8 tp -84.46 -32.57 23.96 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.109 0.413 . . . . 0.53 111.359 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 28.1 mm -59.96 -35.56 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 117.801 0.273 . . . . 0.61 110.409 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.72 -38.03 89.42 Favored Glycine 0 C--N 1.356 1.645 0 N-CA-C 111.5 -0.64 . . . . 0.47 111.5 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -71.36 -32.94 69.1 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.854 0.461 . . . . 0.86 110.619 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.4 -50.76 72.53 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.026 0.53 . . . . 0.67 111.36 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.56 -16.69 47.59 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.224 0.824 . . . . 0.55 113.224 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -82.36 -35.82 27.43 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 118.182 0.446 . . . . 0.96 110.865 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -80.38 -21.96 41.8 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.583 0.586 . . . . 1.65 112.583 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.433 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -62.87 -41.19 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 CA-C-N 118.333 0.515 . . . . 0.66 111.486 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.76 -47.05 12.38 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.23 0.212 . . . . 1.74 111.378 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -147.98 102.16 3.36 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 120.915 0.388 . . . . 1.52 111.812 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.77 -38.36 13.06 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 116.032 -0.531 . . . . 1.87 109.72 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -117.39 81.49 1.66 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.085 -1.08 . . . . 1.53 108.085 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -75.32 63.3 1.39 Allowed 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.307 0.484 . . . . 1.81 112.307 -178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.9 tp -176.43 -49.05 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.756 0.822 . . . . 1.24 110.805 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -81.22 -54.67 5.31 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.069 0.547 . . . . 1.73 111.734 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.06 127.72 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.686 0.394 . . . . 1.06 110.857 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -138.45 49.85 1.89 Allowed 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 111.791 0.293 . . . . 2.26 111.791 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -170.63 101.43 0.24 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.566 0.347 . . . . 1.74 110.549 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 60.0 tttp . . . . . 0 C--N 1.345 0.396 0 CA-C-O 121.018 0.437 . . . . 1.71 110.725 -179.35 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 120.181 0.039 . . . . 1.75 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.01 146.38 24.9 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.57 0.348 . . . . 0.78 110.882 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.78 111.69 23.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.485 0.314 . . . . 0.69 111.165 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -111.22 137.0 20.87 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 122.94 0.496 . . . . 1.1 110.671 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -84.11 145.48 11.05 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.429 2.086 . . . . 0.83 113.19 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -139.0 -65.16 0.49 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.64 0.376 . . . . 1.24 111.09 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 10.6 m -101.02 160.87 14.01 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.116 0.567 . . . . 1.06 110.043 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -55.79 -40.0 72.07 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 112.301 0.482 . . . . 1.51 112.301 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 66.6 mt -75.69 -39.08 58.06 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.684 0.394 . . . . 0.65 111.478 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.49 -36.15 78.53 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 110.127 -0.323 . . . . 0.95 110.127 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -63.97 -36.98 85.76 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 123.142 0.577 . . . . 0.85 110.981 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -61.19 -53.83 51.99 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.35 0.26 . . . . 0.56 111.209 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -71.86 -18.56 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 112.186 0.439 . . . . 0.53 112.186 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -83.77 -38.51 21.22 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.299 0.64 . . . . 1.0 111.196 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -62.19 -31.83 72.39 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.558 0.343 . . . . 0.88 111.667 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 47.1 t -65.07 -32.12 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 N-CA-C 110.355 -0.239 . . . . 0.56 110.355 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -81.45 -51.55 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.013 0.525 . . . . 0.97 110.894 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 60.7 p -60.47 -23.4 64.44 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.35 1.241 . . . . 0.67 114.35 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.9 m -85.02 -44.68 12.84 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 118.62 0.645 . . . . 0.69 112.132 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -98.32 3.14 48.66 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.444 1.275 . . . . 1.02 114.444 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -67.94 -33.27 74.36 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-N 119.546 1.067 . . . . 3.08 110.628 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.6 m -62.13 -38.41 88.86 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 122.855 0.462 . . . . 1.37 111.203 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -86.03 -32.7 21.31 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.818 0.447 . . . . 1.54 111.69 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.07 -26.83 63.23 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 113.608 0.966 . . . . 0.85 113.608 -178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.2 ptt180 -78.76 -1.95 37.12 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.857 1.058 . . . . 1.73 113.857 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -68.38 -36.34 79.02 Favored 'General case' 0 CA--C 1.549 0.937 0 CA-C-N 118.296 0.498 . . . . 1.68 112.222 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -102.87 -175.94 2.95 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.661 0.384 . . . . 1.45 110.735 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.7 145.73 8.1 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 114.919 0.727 . . . . 0.86 114.919 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? 63.5 128.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 124.409 1.084 . . . . 2.62 111.475 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.43 -33.16 69.16 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.011 0.374 . . . . 1.11 112.011 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -98.38 33.69 2.16 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.571 0.349 . . . . 1.36 111.337 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -134.29 146.18 49.78 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 122.489 0.316 . . . . 1.13 111.441 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -100.93 151.83 21.28 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.051 -0.522 . . . . 0.79 110.346 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 35.0 t -80.45 148.97 30.28 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 109.677 -0.49 . . . . 0.69 109.677 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.27 -14.92 19.03 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 112.431 0.53 . . . . 0.71 112.431 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -102.48 -35.39 8.78 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.771 0.428 . . . . 0.83 111.538 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.65 -35.47 70.37 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 112.904 0.705 . . . . 1.61 112.904 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -65.82 -35.12 79.79 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 117.934 0.334 . . . . 0.66 110.474 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -67.67 -37.37 82.25 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.779 0.431 . . . . 0.81 110.574 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.59 -36.35 78.59 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.615 0.366 . . . . 0.69 110.923 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 37.1 tp -66.35 -35.32 80.04 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.512 0.325 . . . . 0.68 110.54 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.32 -29.21 30.93 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 C-N-CA 123.11 0.564 . . . . 0.48 111.092 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -101.49 13.61 34.46 Favored 'General case' 0 CA--C 1.559 1.306 0 N-CA-C 112.181 0.437 . . . . 0.83 112.181 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -135.73 -46.1 0.67 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.212 0.449 . . . . 0.98 112.212 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -117.16 -14.46 10.52 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 113.426 0.898 . . . . 0.73 113.426 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.49 38.92 0.46 Allowed Pre-proline 0 CA--C 1.566 1.589 0 N-CA-C 112.789 0.663 . . . . 0.62 112.789 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -75.76 -36.87 1.9 Allowed 'Trans proline' 0 C--N 1.384 2.412 0 C-N-CA 122.192 1.928 . . . . 0.48 114.51 -179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -70.86 -24.39 62.5 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.446 0.535 . . . . 0.81 112.446 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.15 -60.16 2.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.45 0.3 . . . . 0.88 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.0 mt -92.27 108.52 20.02 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.188 -0.671 . . . . 0.7 109.188 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -52.22 -37.14 54.14 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 112.696 0.628 . . . . 1.23 112.696 -179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -99.24 82.43 2.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 122.355 0.262 . . . . 1.94 111.392 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 14.3 m -70.16 -32.4 50.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 N-CA-C 111.803 0.298 . . . . 0.6 111.803 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -82.34 -43.37 8.02 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 119.807 -0.44 . . . . 0.67 112.429 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.8 t -87.06 78.2 8.99 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.103 0.477 . . . . 0.92 110.014 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.26 9.16 19.95 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-N 115.245 -0.889 . . . . 1.24 110.533 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -73.71 -34.9 65.03 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 111.961 0.356 . . . . 0.73 111.961 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -61.31 -35.53 77.61 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 122.248 0.219 . . . . 1.1 110.98 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -89.22 -29.58 19.16 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 123.102 0.561 . . . . 1.47 111.502 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 45.1 ttp -64.68 -41.5 96.01 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 112.631 0.604 . . . . 0.81 112.631 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -68.82 -42.13 77.64 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.998 0.363 . . . . 2.39 110.446 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -66.33 -38.56 87.94 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.467 0.307 . . . . 0.63 110.402 176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.68 -41.81 95.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.456 0.703 . . . . 0.69 110.758 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -106.72 64.47 0.65 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.105 0.562 . . . . 1.32 110.359 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.8 p -79.22 -26.17 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 116.244 -0.434 . . . . 0.72 111.108 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -69.56 -28.57 66.1 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.051 0.54 . . . . 1.38 111.526 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 64.53 73.54 0.42 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 124.379 1.072 . . . . 2.02 112.558 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -152.14 15.82 0.63 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 112.237 0.458 . . . . 1.3 112.237 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.2 t 57.2 29.22 16.31 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.762 0.825 . . . . 1.35 112.882 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -138.02 123.23 19.29 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.627 0.371 . . . . 2.4 110.088 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mp -100.55 76.47 1.83 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.53 0.332 . . . . 1.13 111.044 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -65.6 154.69 38.03 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 108.393 -0.966 . . . . 1.81 108.393 177.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -27.44 43.24 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 118.845 0.748 . . . . 1.23 112.959 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -68.42 -39.19 81.67 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 110.07 -0.344 . . . . 0.99 110.07 177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -88.97 -23.79 22.57 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.348 0.659 . . . . 0.93 111.356 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -80.66 -6.1 57.9 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 123.028 0.531 . . . . 0.71 111.116 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -19.51 63.62 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.471 0.708 . . . . 1.54 112.564 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -60.53 -43.21 97.41 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 118.322 0.51 . . . . 2.15 111.495 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 13.0 tp -79.95 -23.24 41.83 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.392 0.277 . . . . 0.49 111.046 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mm -61.83 -35.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 122.771 0.428 . . . . 0.56 110.427 178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.21 63.94 Favored Glycine 0 C--N 1.355 1.59 0 N-CA-C 111.817 -0.513 . . . . 0.42 111.817 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.28 -14.92 59.22 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.94 0.496 . . . . 0.91 111.313 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -56.99 13.34 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.403 0.681 . . . . 0.69 111.285 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.595 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -89.39 -6.04 56.93 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 112.66 0.615 . . . . 0.55 112.66 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -89.5 -32.8 17.02 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 117.886 0.312 . . . . 1.1 110.901 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -96.93 27.81 3.83 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 122.288 0.235 . . . . 1.68 111.592 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.22 -42.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 122.839 0.456 . . . . 0.63 110.157 178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -32.06 9.94 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 122.608 0.363 . . . . 1.64 111.836 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -129.56 57.68 1.66 Allowed 'General case' 0 C--N 1.357 0.899 0 CA-C-O 121.466 0.65 . . . . 1.65 111.351 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -39.1 69.99 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 115.81 -0.632 . . . . 2.03 111.182 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -127.15 74.34 1.5 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 107.974 -1.121 . . . . 1.36 107.974 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.0 74.13 2.89 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.846 0.684 . . . . 1.72 112.846 -178.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 3.7 tp -173.94 -51.25 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.124 0.57 . . . . 1.27 111.054 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -91.49 -37.86 12.89 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.536 0.334 . . . . 1.61 111.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 25.0 pt -122.33 141.88 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.83 0.452 . . . . 1.04 110.674 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -149.53 19.99 0.93 Allowed 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.923 0.712 . . . . 2.42 112.923 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -154.65 102.09 2.36 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 120.721 0.296 . . . . 1.86 110.513 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 C--O 1.252 1.194 0 CA-C-O 118.191 -0.909 . . . . 1.85 110.611 -179.784 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.459 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 113.211 0.819 . . . . 2.71 113.211 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.8 149.09 37.54 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 122.727 0.411 . . . . 1.02 111.728 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.539 ' HB1' ' HG2' ' A' ' 14' ' ' GLU . . . -100.44 105.05 16.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 122.838 0.455 . . . . 0.7 110.769 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.28 144.0 27.29 Favored Pre-proline 0 N--CA 1.481 1.085 0 C-N-CA 123.257 0.623 . . . . 1.02 111.414 -178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.67 131.34 41.73 Favored 'Trans proline' 0 C--N 1.378 2.126 0 C-N-CA 122.87 2.38 . . . . 0.74 113.364 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.9 mt -127.94 -146.83 0.34 Allowed 'General case' 0 CA--C 1.555 1.161 0 N-CA-C 109.171 -0.677 . . . . 1.19 109.171 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.2 p -63.13 178.29 0.52 Allowed 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 119.247 0.931 . . . . 0.98 111.839 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -55.24 -46.1 76.04 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.242 0.83 . . . . 1.42 113.242 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.72 -40.97 27.7 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.716 0.235 . . . . 0.65 111.383 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -66.27 -25.34 66.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.612 0.365 . . . . 1.03 111.603 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -84.83 -28.08 26.33 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 123.065 0.546 . . . . 0.81 111.036 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.4 m -56.96 -54.32 48.06 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 122.655 0.382 . . . . 0.63 111.114 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -70.61 -22.99 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 O-C-N 123.097 0.248 . . . . 0.56 111.53 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 2.0 tm-20 -71.85 -38.78 70.06 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.693 0.397 . . . . 1.0 110.407 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 m -58.8 -36.4 74.41 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.695 0.398 . . . . 0.77 111.557 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.4 t -67.09 -32.89 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 122.46 0.304 . . . . 0.5 110.979 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.59 -60.79 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 122.617 0.367 . . . . 0.95 110.755 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.2 p -58.34 -32.48 68.56 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 113.628 0.974 . . . . 0.62 113.628 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.96 -41.6 82.2 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.393 0.516 . . . . 0.66 112.393 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -105.78 5.68 31.09 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 113.554 0.946 . . . . 0.95 113.554 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -71.98 -26.16 62.14 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 118.979 0.809 . . . . 3.17 110.858 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.6 m -67.15 -35.44 79.71 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.941 0.496 . . . . 1.37 110.781 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -85.71 -37.58 19.23 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 122.837 0.455 . . . . 1.55 110.592 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.79 -32.27 73.88 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.848 0.684 . . . . 0.83 112.848 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.18 -14.47 59.45 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 112.744 0.646 . . . . 1.55 112.744 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -62.76 -37.03 85.04 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 112.683 0.623 . . . . 1.8 112.683 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -104.38 -170.85 1.83 Allowed 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.024 0.529 . . . . 1.59 111.0 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.38 133.74 33.92 Favored Glycine 0 C--N 1.359 1.85 0 N-CA-C 114.861 0.704 . . . . 0.92 114.861 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 61.48 141.98 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.258 1.023 . . . . 2.6 113.043 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm -82.32 -36.42 26.96 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.65 -0.705 . . . . 1.22 111.816 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -76.98 -16.97 59.17 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.313 0.857 . . . . 1.43 113.313 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.5 p -104.05 143.85 32.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.179 0.807 . . . . 1.09 113.179 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.11 148.6 22.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.656 0.782 . . . . 0.76 109.241 178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.6 t -81.56 143.96 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 117.672 0.215 . . . . 0.68 111.088 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.13 -22.72 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 N-CA-C 112.565 0.58 . . . . 0.64 112.565 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -93.32 -34.67 13.42 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.729 0.412 . . . . 0.82 111.622 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -75.0 -39.31 61.3 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.59 0.589 . . . . 1.54 112.59 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.82 -33.63 76.04 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.796 0.271 . . . . 0.65 111.15 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -63.39 -35.79 81.58 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.241 0.338 . . . . 0.87 110.874 178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.09 -32.08 71.26 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.501 0.32 . . . . 0.73 110.812 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.62 -30.94 71.97 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.941 0.497 . . . . 0.65 110.981 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.404 HG13 HD12 ' A' ' 50' ' ' LEU . 92.9 t -77.45 -32.54 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 122.845 0.458 . . . . 0.45 112.045 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.82 14.82 28.99 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.15 0.796 . . . . 0.8 113.15 -178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -141.52 -55.38 0.47 Allowed 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.597 0.635 . . . . 1.1 112.653 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -106.74 -1.82 22.22 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.053 0.76 . . . . 0.84 113.053 -178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.3 tp -144.23 46.77 0.67 Allowed Pre-proline 0 CA--C 1.562 1.41 0 CA-C-N 118.182 0.446 . . . . 0.67 112.081 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.54 -40.42 0.11 Allowed 'Trans proline' 0 C--N 1.383 2.387 0 C-N-CA 122.183 1.922 . . . . 0.52 114.305 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -65.22 -25.69 67.8 Favored 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 112.234 0.457 . . . . 0.85 112.234 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -70.83 -56.0 7.28 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.642 0.377 . . . . 0.87 111.144 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.404 HD12 HG13 ' A' ' 42' ' ' VAL . 89.8 mt -98.21 106.0 18.23 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.603 0.564 . . . . 0.73 110.255 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -51.92 -37.13 51.47 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 112.999 0.74 . . . . 1.32 112.999 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -102.05 94.5 5.8 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 123.321 0.388 . . . . 2.08 110.372 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.5 m -85.63 -26.55 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 N-CA-C 112.149 0.425 . . . . 0.71 112.149 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.62 -56.18 3.02 Favored Glycine 0 C--N 1.355 1.626 0 CA-C-O 119.666 -0.519 . . . . 0.83 112.804 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.1 t -83.39 76.12 9.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.167 0.508 . . . . 0.85 110.66 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.92 -5.77 37.24 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 115.42 -0.809 . . . . 1.22 110.714 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -58.56 -33.32 69.8 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.397 0.888 . . . . 0.77 113.397 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -56.86 -40.56 76.37 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 117.925 0.33 . . . . 1.09 111.275 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -93.54 -25.98 17.34 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 123.295 0.372 . . . . 1.55 111.032 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.4 ' HA ' HD12 ' A' ' 63' ' ' LEU . 40.6 ttp -67.84 -38.29 82.99 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.679 0.392 . . . . 0.84 111.575 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -64.42 -37.85 88.98 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 110.389 -0.226 . . . . 2.56 110.389 178.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.0 m -77.01 -35.5 56.99 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.61 0.364 . . . . 0.61 110.484 178.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 60' ' ' MET . 9.6 mt -57.75 -51.1 70.96 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.465 0.706 . . . . 0.68 110.978 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -92.3 70.09 5.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 109.554 -0.535 . . . . 1.39 109.554 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.9 p -90.49 -18.89 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 115.616 -0.72 . . . . 0.73 112.122 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -85.04 -20.82 29.85 Favored 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 111.976 0.361 . . . . 1.44 111.976 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 61.66 75.66 0.4 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.869 0.867 . . . . 1.96 111.398 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -150.17 18.03 0.86 Allowed 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 116.017 -0.538 . . . . 1.41 112.204 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t 72.54 -54.6 0.69 Allowed 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 124.273 1.029 . . . . 1.31 112.408 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.24 147.04 28.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.965 0.506 . . . . 2.42 111.096 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mp -106.64 101.62 11.05 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 122.908 0.483 . . . . 0.95 110.966 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -65.16 171.7 3.54 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.055 -0.72 . . . . 1.89 109.055 178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -64.84 -30.49 71.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.504 1.047 . . . . 1.2 111.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -69.64 -29.46 66.94 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 0.98 109.675 176.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.46 -39.08 23.02 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.097 0.559 . . . . 1.03 110.192 177.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -69.63 -18.96 63.63 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 123.507 0.723 . . . . 0.69 111.04 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 30.1 t90 -49.32 -29.5 6.14 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.151 1.38 . . . . 1.62 113.434 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -61.23 -38.49 86.84 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 122.724 0.41 . . . . 1.96 111.393 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 tp -82.49 -27.02 32.06 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.207 0.317 . . . . 0.53 110.711 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.55 -39.35 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 122.727 0.411 . . . . 0.61 110.131 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.14 -43.87 92.3 Favored Glycine 0 C--N 1.354 1.572 0 O-C-N 123.22 0.325 . . . . 0.47 112.516 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -74.38 -16.48 60.89 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.87 0.468 . . . . 0.86 112.011 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.07 -46.39 89.72 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.029 0.532 . . . . 0.67 111.386 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . . . -97.08 -13.5 22.16 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 112.475 0.546 . . . . 0.55 112.475 179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -80.04 -30.8 39.5 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.481 0.312 . . . . 0.96 110.377 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -92.51 -9.49 41.16 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.338 0.496 . . . . 1.65 112.338 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -73.57 -39.37 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 118.659 0.663 . . . . 0.66 110.539 179.192 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -103.04 -39.59 6.83 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 112.349 0.5 . . . . 1.74 112.349 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -127.89 76.74 1.71 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 112.522 0.564 . . . . 1.52 112.522 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.22 -37.29 20.26 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 116.571 -0.286 . . . . 1.87 110.296 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -132.72 77.2 1.73 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 107.886 -1.153 . . . . 1.53 107.886 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -49.54 -38.91 32.74 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 114.347 1.24 . . . . 1.81 114.347 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.59 56.65 0.63 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.139 0.495 . . . . 1.24 111.077 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -164.0 -52.3 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 116.042 -0.526 . . . . 1.73 110.679 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 6.2 pt -132.08 123.82 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.215 0.606 . . . . 1.06 110.41 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -129.42 29.62 5.07 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.599 0.592 . . . . 2.26 112.599 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -154.75 85.63 1.11 Allowed 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.121 0.486 . . . . 1.74 111.238 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--N 1.351 0.651 0 CA-C-N 115.84 -0.618 . . . . 1.71 110.391 -179.876 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 111.781 0.289 . . . . 1.75 111.781 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.39 146.13 23.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.729 0.412 . . . . 0.78 111.423 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.21 119.64 30.7 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 122.612 0.365 . . . . 0.69 110.776 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -114.74 141.27 26.5 Favored Pre-proline 0 N--CA 1.483 1.195 0 C-N-CA 122.845 0.458 . . . . 1.1 111.647 -178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -78.35 132.9 11.58 Favored 'Trans proline' 0 C--N 1.382 2.324 0 C-N-CA 122.575 2.183 . . . . 0.83 112.832 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 85.8 mt -130.88 -60.23 0.98 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 122.816 0.446 . . . . 1.24 111.262 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -119.65 164.77 15.39 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.485 0.714 . . . . 1.06 109.899 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -51.4 -54.01 30.89 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 112.975 0.731 . . . . 1.51 112.975 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.19 -35.93 80.66 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.056 0.391 . . . . 0.65 112.056 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.17 -37.08 75.08 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 110.335 -0.246 . . . . 0.95 110.335 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -69.56 -36.36 76.26 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.279 0.632 . . . . 0.85 111.252 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 -50.82 69.37 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.415 0.286 . . . . 0.56 111.564 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -78.68 -23.15 13.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 112.374 0.509 . . . . 0.53 112.374 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -73.61 -37.24 65.48 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 122.871 0.468 . . . . 1.0 110.767 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -63.51 -34.11 77.07 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.52 0.328 . . . . 0.88 111.485 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.78 -34.36 67.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.516 0.326 . . . . 0.56 110.653 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 90.5 t -74.53 -59.04 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 C-N-CA 122.931 0.492 . . . . 0.97 110.451 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.5 p -63.43 -19.34 64.62 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 114.774 1.398 . . . . 0.67 114.774 -178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.6 m -83.21 -40.78 19.2 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 118.75 0.704 . . . . 0.69 112.293 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -97.87 -21.91 16.64 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 113.201 0.815 . . . . 1.02 113.201 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . 0.556 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 3.0 m-85 -63.1 -18.22 63.16 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.325 0.861 . . . . 3.08 113.325 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -61.71 -33.98 74.98 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 118.229 0.468 . . . . 1.37 110.785 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.79 -24.09 12.95 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.108 0.563 . . . . 1.54 111.285 178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.556 ' HB3' ' HA ' ' B' ' 21' ' ' PHE . . . -66.97 -21.64 65.96 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 113.345 0.869 . . . . 0.85 113.345 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -90.27 39.31 0.96 Allowed 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 122.625 0.37 . . . . 1.73 111.177 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -114.43 -42.75 3.26 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.784 0.434 . . . . 1.68 111.946 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -115.52 102.24 9.62 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 112.782 0.66 . . . . 1.45 112.782 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.51 113.96 0.01 OUTLIER Glycine 0 C--N 1.353 1.484 0 N-CA-C 115.498 0.959 . . . . 0.86 115.498 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 57.6 151.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.355 1.062 . . . . 2.62 113.691 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -84.38 -33.93 23.68 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.739 -0.664 . . . . 1.11 112.103 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -99.97 43.65 1.05 Allowed 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 112.485 0.55 . . . . 1.36 112.485 -178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 75.7 p -147.85 148.81 31.27 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 111.737 0.273 . . . . 1.13 111.737 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 mp -96.79 136.17 37.71 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.077 0.551 . . . . 0.79 109.661 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t -74.37 157.89 34.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 111.893 0.331 . . . . 0.69 111.893 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -72.65 -33.2 43.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.19 0 CA-C-N 116.075 -0.511 . . . . 0.71 112.127 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -88.91 -22.29 23.18 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 111.994 0.368 . . . . 0.83 111.994 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -84.11 -37.32 22.16 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.566 0.58 . . . . 1.61 112.566 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.89 -34.79 77.32 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 118.105 0.411 . . . . 0.66 110.984 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -59.43 -41.95 90.75 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.163 0.585 . . . . 0.81 110.745 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -74.02 -30.08 62.26 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.785 0.434 . . . . 0.69 111.168 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.01 -32.78 74.45 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.695 0.398 . . . . 0.68 110.935 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.64 -29.57 13.23 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 C-N-CA 122.916 0.486 . . . . 0.48 110.892 178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -106.08 41.88 1.34 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 122.912 0.485 . . . . 0.83 111.501 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -162.59 -59.99 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 O-C-N 122.276 -0.265 . . . . 0.98 111.401 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.69 -11.74 15.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.149 0.796 . . . . 0.73 113.149 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.1 tp -134.31 44.89 1.31 Allowed Pre-proline 0 CA--C 1.564 1.51 0 N-CA-C 112.348 0.499 . . . . 0.62 112.348 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -85.03 -36.55 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.405 0 C-N-CA 122.312 2.008 . . . . 0.48 115.642 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -74.28 -33.38 63.24 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.148 0.425 . . . . 0.81 112.148 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.84 -59.52 5.02 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.879 0.472 . . . . 0.88 111.199 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.35 111.01 23.46 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 109.004 -0.739 . . . . 0.7 109.004 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.94 -28.93 66.73 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.096 0.776 . . . . 1.23 113.096 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -80.18 77.84 6.88 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 120.78 0.324 . . . . 1.94 110.697 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 23.3 m -88.4 -24.46 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 112.682 0.623 . . . . 0.6 112.682 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -94.81 -59.16 1.14 Allowed Glycine 0 C--N 1.354 1.582 0 CA-C-O 119.837 -0.424 . . . . 0.67 113.378 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.0 t -75.09 82.81 2.29 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 121.171 0.51 . . . . 0.92 111.476 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 -13.17 58.93 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.782 0.66 . . . . 1.24 112.782 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -54.39 -39.71 67.51 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.66 0.985 . . . . 0.73 113.66 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -65.9 -31.33 72.21 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.161 0.437 . . . . 1.1 111.249 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -114.11 47.25 1.22 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 122.808 0.443 . . . . 1.47 111.102 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 27.9 ttp -138.53 -49.98 0.55 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.454 0.302 . . . . 0.81 110.636 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -70.32 -34.03 72.21 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.071 0.232 . . . . 2.39 110.422 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 70.0 m -71.94 -31.9 66.79 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.685 0.394 . . . . 0.63 111.692 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 23.2 mt -73.21 -60.7 2.12 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 110.154 -0.313 . . . . 0.69 110.154 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -86.28 71.2 10.54 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.313 0.578 . . . . 1.32 109.513 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.3 p -72.99 -29.61 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 115.608 -0.723 . . . . 0.72 112.066 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -75.08 -23.01 57.95 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.057 0.392 . . . . 1.38 112.057 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 65.61 74.81 0.36 Allowed 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.442 0.697 . . . . 2.02 111.594 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -148.93 12.4 0.86 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 112.961 0.726 . . . . 1.3 112.961 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 62.5 m 58.6 24.79 12.43 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.217 0.821 . . . . 1.35 113.217 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -138.16 101.85 4.51 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.141 -0.688 . . . . 2.4 109.141 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mp -89.86 87.97 7.16 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.485 0.314 . . . . 1.13 111.837 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -67.15 174.94 2.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 108.903 -0.777 . . . . 1.81 108.903 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 3.2 t80 -66.57 -20.47 66.02 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.285 0.948 . . . . 1.23 111.447 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.91 -31.75 56.92 Favored 'General case' 0 C--N 1.363 1.182 0 N-CA-C 109.697 -0.483 . . . . 0.99 109.697 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.64 -48.08 9.85 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.905 0.482 . . . . 0.93 109.993 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -64.53 -21.08 66.58 Favored 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 123.592 0.757 . . . . 0.71 110.354 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.5 t90 -32.5 -49.07 0.2 Allowed 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.224 1.81 . . . . 1.54 113.959 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.61 -36.32 71.61 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.758 0.651 . . . . 2.15 112.758 -179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -74.59 -39.52 62.15 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 119.341 -0.362 . . . . 0.49 111.259 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.54 -31.36 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 109.875 -0.417 . . . . 0.56 109.875 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.11 -40.21 88.31 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.681 -0.968 . . . . 0.42 110.681 176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -72.8 -26.5 61.53 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 122.993 0.517 . . . . 0.91 111.174 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.01 -58.72 7.42 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 122.833 0.453 . . . . 0.69 110.87 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.43 -15.95 56.96 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.97 0.729 . . . . 0.55 112.97 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -84.14 -37.4 21.99 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.035 0.38 . . . . 1.1 110.541 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -99.56 26.13 6.43 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 112.774 0.657 . . . . 1.68 112.774 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.526 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.0 OUTLIER -93.33 -39.02 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 N-CA-C 108.578 -0.897 . . . . 0.63 108.578 176.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 18.3 ptt-85 -103.16 -33.46 9.2 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.18 0.592 . . . . 1.64 111.919 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.6 pttp -128.61 62.13 1.47 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 112.314 0.487 . . . . 1.65 112.314 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -73.61 -42.5 61.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 122.391 -0.193 . . . . 2.03 110.89 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -128.02 73.13 1.44 Allowed 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.335 -0.617 . . . . 1.36 109.335 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -75.95 69.8 2.61 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-O 121.384 0.611 . . . . 1.72 111.072 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 tp -162.0 -53.23 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.493 -0.776 . . . . 1.27 110.968 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -100.55 -41.41 6.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 122.819 0.447 . . . . 1.61 111.209 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.2 pt -120.6 125.26 73.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.092 0.557 . . . . 1.04 110.208 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -142.19 36.15 1.53 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 112.431 0.53 . . . . 2.42 112.431 -179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -162.23 103.5 1.11 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.158 0.429 . . . . 1.86 112.158 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.227 -0.892 . . . . 1.85 110.383 178.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.412 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.458 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 112.704 0.631 . . . . 2.71 112.704 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.23 155.88 16.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.351 0.26 . . . . 1.02 111.469 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 118.29 36.37 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 122.803 0.441 . . . . 0.7 110.76 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -104.77 132.79 20.58 Favored Pre-proline 0 N--CA 1.477 0.903 0 CA-C-O 119.125 -0.464 . . . . 1.02 110.842 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -63.43 126.62 18.05 Favored 'Trans proline' 0 C--N 1.382 2.333 0 C-N-CA 122.392 2.061 . . . . 0.74 112.374 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.3 mt -124.75 -154.64 0.63 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.18 0.592 . . . . 1.19 110.313 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -56.91 156.7 6.41 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-N 118.438 0.563 . . . . 0.98 111.595 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -36.64 -53.06 0.9 Allowed 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 114.667 1.358 . . . . 1.42 114.667 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.7 -43.29 76.35 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.104 0.411 . . . . 0.65 111.571 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -66.27 -31.25 71.95 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 123.268 0.355 . . . . 1.03 111.297 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -80.04 -25.31 40.21 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.986 0.515 . . . . 0.81 112.018 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.6 m -59.45 -44.66 92.91 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 117.762 0.255 . . . . 0.63 110.569 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -83.76 -18.55 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.484 0.314 . . . . 0.56 111.535 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -72.8 -41.86 64.51 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.287 0.635 . . . . 1.0 110.845 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.0 m -59.19 -28.12 66.34 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 122.824 0.449 . . . . 0.77 111.597 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -66.86 -26.99 38.35 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.175 0 C-N-CA 122.976 0.51 . . . . 0.5 111.184 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.7 t -105.26 40.38 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.319 0 C-N-CA 123.039 0.536 . . . . 0.95 110.913 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 HACB ' A' ' 99' ' ' ANW . 40.4 p -149.05 -49.53 0.15 Allowed 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.459 0.54 . . . . 0.62 112.459 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -62.99 -53.66 50.5 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.087 0.403 . . . . 0.66 112.087 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CD1' HD13 ' A' ' 41' ' ' LEU . 23.7 t80 -100.79 8.86 43.0 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 112.306 0.484 . . . . 0.95 112.306 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -68.38 -28.93 67.54 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 118.332 0.515 . . . . 3.17 111.101 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 m -63.05 -39.7 95.51 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.616 0.367 . . . . 1.37 110.73 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -81.89 -26.88 33.77 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.442 0.297 . . . . 1.55 111.041 178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.36 -34.82 75.14 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.342 0.497 . . . . 0.83 112.342 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -81.84 -1.83 48.88 Favored 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 113.15 0.796 . . . . 1.55 113.15 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -65.05 -42.53 94.17 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-N 118.255 0.48 . . . . 1.8 111.102 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -94.11 -176.7 4.07 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.04 0.536 . . . . 1.59 110.484 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.38 151.2 8.03 Favored Glycine 0 C--N 1.357 1.723 0 N-CA-C 114.304 0.482 . . . . 0.92 114.304 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 63.29 115.31 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.929 0.892 . . . . 2.6 111.252 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.66 -37.59 86.93 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 112.309 0.485 . . . . 1.22 112.309 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -94.49 30.74 1.91 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 111.922 0.341 . . . . 1.43 111.922 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.2 t -135.42 156.6 48.65 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 122.978 0.511 . . . . 1.09 111.148 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -108.16 151.9 25.28 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.854 0.462 . . . . 0.76 110.13 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.2 t -80.55 157.48 26.07 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 110.596 -0.149 . . . . 0.68 110.596 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -30.86 38.41 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 N-CA-C 112.058 0.392 . . . . 0.64 112.058 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -90.56 -32.35 16.33 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 122.649 0.38 . . . . 0.82 111.99 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -73.62 -35.61 65.36 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 112.396 0.517 . . . . 1.54 112.396 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -35.89 82.44 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 117.851 0.296 . . . . 0.65 110.396 178.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -63.63 -39.4 94.26 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.847 0.459 . . . . 0.87 110.895 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.06 -32.54 73.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.516 0.326 . . . . 0.73 110.993 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 20' ' ' PHE . 28.8 tp -66.73 -31.61 72.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.585 0.354 . . . . 0.65 111.007 178.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -81.4 -21.7 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 122.733 0.413 . . . . 0.45 111.756 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -110.43 34.48 3.91 Favored 'General case' 0 CA--C 1.553 1.061 0 CA-C-N 118.146 0.43 . . . . 0.8 112.108 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.27 -48.63 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 112.485 0.55 . . . . 1.1 112.485 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -110.14 -21.81 12.09 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.709 0.633 . . . . 0.84 112.709 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -128.8 40.62 0.62 Allowed Pre-proline 0 CA--C 1.565 1.544 0 N-CA-C 112.4 0.519 . . . . 0.67 112.4 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.76 -37.24 0.27 Allowed 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.054 1.836 . . . . 0.52 114.496 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -69.25 -27.21 65.25 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.216 0.45 . . . . 0.85 112.216 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD23 ' HG ' ' A' ' 83' ' ' LEU . 12.5 tp -68.2 -61.58 1.78 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.086 0.154 . . . . 0.87 110.9 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -84.84 113.79 21.62 Favored 'General case' 0 C--N 1.348 0.541 0 N-CA-C 108.695 -0.854 . . . . 0.73 108.695 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.74 -34.26 51.89 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.312 0.856 . . . . 1.32 113.312 -178.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -106.86 116.89 32.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.748 0.419 . . . . 2.08 110.292 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.9 m -105.49 -34.19 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 N-CA-C 112.393 0.516 . . . . 0.71 112.393 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.94 -53.87 5.58 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-O 120.002 -0.332 . . . . 0.83 113.292 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 t -88.26 74.84 8.65 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.169 0.509 . . . . 0.85 110.836 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.03 -2.72 57.62 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-N 115.871 -0.604 . . . . 1.22 111.453 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.85 -23.24 66.14 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.426 0.899 . . . . 0.77 113.426 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -63.88 -42.36 97.51 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 118.03 0.377 . . . . 1.09 111.179 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -92.58 -27.02 17.62 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.377 0.423 . . . . 1.55 111.818 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 39.2 ttp -56.82 -34.4 67.69 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 112.375 0.509 . . . . 0.84 112.375 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -64.71 -39.39 93.57 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 122.533 0.333 . . . . 2.56 111.32 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.8 m -68.83 -32.98 73.07 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 122.433 0.293 . . . . 0.61 111.373 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 79' ' ' LEU . 54.6 mt -71.82 -54.97 8.46 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.57 0.348 . . . . 0.68 110.609 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.0 64.86 4.72 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-O 120.982 0.42 . . . . 1.39 110.299 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.4 p -89.81 -35.03 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 115.957 -0.565 . . . . 0.73 110.262 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.79 -33.19 73.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.747 0.419 . . . . 1.44 110.011 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 64.44 82.57 0.18 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.118 0.967 . . . . 1.96 111.94 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -149.49 18.88 0.93 Allowed 'General case' 0 CA--C 1.557 1.247 0 CA-C-N 115.849 -0.614 . . . . 1.41 111.846 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.9 t 58.79 25.58 13.68 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.707 0.803 . . . . 1.31 113.003 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -144.37 127.01 16.09 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.676 -0.491 . . . . 2.42 109.676 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -104.61 82.26 1.88 Allowed 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 121.007 0.432 . . . . 0.95 110.883 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -68.18 156.82 36.75 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 115.757 -0.656 . . . . 1.89 109.61 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.39 -30.92 61.32 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.665 0.666 . . . . 1.2 112.059 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -67.56 -26.82 66.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 117.644 0.202 . . . . 0.98 110.952 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.29 -31.7 11.22 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.5 0.72 . . . . 1.03 111.194 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.518 ' HA ' HD22 ' A' ' 63' ' ' LEU . 68.1 t80 -82.78 -4.13 57.56 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.867 0.867 . . . . 0.69 112.385 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -17.94 64.97 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.113 0.415 . . . . 1.62 111.889 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.526 ' HB2' HD23 ' A' ' 63' ' ' LEU . 49.2 mmm-85 -64.29 -35.38 80.68 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 110.272 -0.27 . . . . 1.96 110.272 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 63' ' ' LEU . 7.8 tp -81.59 -36.61 28.79 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 109.851 -0.425 . . . . 0.53 109.851 178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 20.7 mm -58.3 -41.69 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 122.725 0.41 . . . . 0.61 110.05 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.15 -39.08 83.61 Favored Glycine 0 C--N 1.352 1.461 0 N-CA-C 111.522 -0.631 . . . . 0.47 111.522 177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.75 -21.44 61.02 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.304 0.642 . . . . 0.86 111.421 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' ' 49' ' ' LEU . 1.3 mp -66.5 -46.52 75.97 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.593 -0.521 . . . . 0.67 109.593 177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -83.97 -12.21 55.65 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-N 115.926 -0.579 . . . . 0.55 111.954 179.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -89.18 -44.21 10.46 Favored 'General case' 0 C--N 1.359 0.991 0 C-N-CA 122.56 0.344 . . . . 0.96 110.567 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.2 51.41 2.03 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.118 0.485 . . . . 1.65 110.849 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.56 -42.11 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 123.536 0.734 . . . . 0.66 109.561 178.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.23 -29.49 9.29 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.044 0.537 . . . . 1.74 111.248 178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -120.06 33.73 5.49 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.752 0.649 . . . . 1.52 112.752 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -37.39 87.34 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 122.027 -0.421 . . . . 1.87 110.852 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -142.23 57.84 1.46 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.944 -0.761 . . . . 1.53 108.944 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -61.63 -27.91 69.0 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 113.022 0.749 . . . . 1.81 113.022 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -67.93 -35.6 78.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 111.919 0.34 . . . . 1.24 111.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -96.54 -60.9 1.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 122.721 0.408 . . . . 1.73 111.415 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 pt -108.72 145.69 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 122.855 0.462 . . . . 1.06 110.94 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.7 ptm85 -147.29 50.34 1.09 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 112.985 0.735 . . . . 2.26 112.985 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -172.34 120.65 0.42 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 122.63 0.372 . . . . 1.74 111.527 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.8 tttp . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.009 0.433 . . . . 1.71 110.659 -179.87 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 CA--C 1.552 1.051 0 N-CA-C 111.953 0.353 . . . . 1.75 111.953 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.36 140.06 43.0 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 123.011 0.524 . . . . 0.78 110.946 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -79.31 133.31 36.62 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 111.44 0.163 . . . . 0.69 111.44 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -136.77 147.24 58.55 Favored Pre-proline 0 CA--C 1.557 1.228 0 C-N-CA 122.94 0.496 . . . . 1.1 111.632 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -65.39 142.05 70.69 Favored 'Trans proline' 0 C--N 1.385 2.471 0 C-N-CA 122.729 2.286 . . . . 0.83 113.171 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 93.7 mt -141.44 -51.49 0.43 Allowed 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 111.879 0.326 . . . . 1.24 111.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -146.98 164.32 33.35 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.255 0.622 . . . . 1.06 109.964 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -51.69 -43.29 62.7 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.689 0.625 . . . . 1.51 112.689 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 85.4 mt -81.53 -38.35 26.37 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 117.578 0.172 . . . . 0.65 111.278 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.08 -29.38 69.13 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.216 0.206 . . . . 0.95 110.671 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -79.33 -29.27 42.25 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.138 0.575 . . . . 0.85 110.695 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -57.25 -49.98 74.32 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.452 0.301 . . . . 0.56 111.526 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.486 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -76.4 -27.47 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 CA-C-N 116.678 -0.237 . . . . 0.53 111.435 178.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.638 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 1.5 tm-20 -71.61 -36.86 70.94 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 122.956 0.503 . . . . 1.0 111.63 179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 24.4 m -60.38 -33.43 72.45 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.626 0.37 . . . . 0.88 111.707 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -69.77 -29.86 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 C-N-CA 122.306 0.242 . . . . 0.56 110.394 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.8 -49.81 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 122.794 0.437 . . . . 0.97 110.876 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -70.3 -43.08 71.09 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.784 1.031 . . . . 0.67 113.784 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.6 m -61.6 -31.28 71.34 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.026 0.75 . . . . 0.69 113.026 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -103.93 -13.93 16.17 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 113.507 0.928 . . . . 1.02 113.507 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . 0.47 ' HA ' ' HB3' ' B' ' 24' ' ' ALA . 0.4 OUTLIER -62.2 -24.65 67.34 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-N 118.934 0.788 . . . . 3.08 112.887 -179.468 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -55.65 -39.82 71.38 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.699 0.399 . . . . 1.37 111.669 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -101.16 -29.47 12.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.786 0.435 . . . . 1.54 111.581 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' B' ' 21' ' ' PHE . . . -57.28 -30.72 64.94 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 113.413 0.894 . . . . 0.85 113.413 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -79.34 -9.45 59.59 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 113.329 0.863 . . . . 1.73 113.329 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.73 -51.36 70.08 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 118.297 0.499 . . . . 1.68 111.842 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -83.17 177.39 8.58 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.341 0.256 . . . . 1.45 110.567 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.75 150.87 21.39 Favored Glycine 0 C--N 1.356 1.653 0 CA-C-O 119.942 -0.366 . . . . 0.86 113.879 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 66.35 127.16 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.934 0.894 . . . . 2.62 111.359 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -70.54 -50.71 34.71 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 122.155 0.182 . . . . 1.11 111.309 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -87.44 68.3 9.65 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 120.837 0.351 . . . . 1.36 111.089 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 89.1 p -160.61 157.57 27.49 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.167 -0.47 . . . . 1.13 111.536 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mp -113.21 144.09 43.29 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.066 0.547 . . . . 0.79 109.632 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t -85.47 158.97 20.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 121.927 0.091 . . . . 0.69 110.765 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.7 p -70.38 -35.07 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 N-CA-C 112.491 0.552 . . . . 0.71 112.491 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -87.42 -25.07 23.97 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 111.988 0.366 . . . . 0.83 111.988 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -79.75 -42.83 23.72 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.76 0.652 . . . . 1.61 112.76 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.59 -30.43 71.16 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 117.872 0.306 . . . . 0.66 110.74 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -69.94 -39.1 76.28 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.953 0.501 . . . . 0.81 110.81 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.86 -35.5 74.76 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.733 0.413 . . . . 0.69 111.392 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -62.58 -35.44 79.53 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.641 0.377 . . . . 0.68 111.253 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.7 t -74.26 -26.41 20.6 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.094 0 C-N-CA 123.037 0.535 . . . . 0.48 111.385 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -109.17 36.29 2.96 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.709 0.403 . . . . 0.83 111.621 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -159.57 -54.02 0.06 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 111.918 0.34 . . . . 0.98 111.918 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -114.65 -3.07 12.92 Favored 'General case' 0 CA--C 1.557 1.227 0 N-CA-C 113.238 0.829 . . . . 0.73 113.238 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.403 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 1.7 tp -144.19 50.69 1.31 Allowed Pre-proline 0 CA--C 1.563 1.456 0 CA-C-N 118.538 0.608 . . . . 0.62 111.833 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.403 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 74.5 Cg_endo -88.09 -39.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.379 2.159 0 C-N-CA 122.309 2.006 . . . . 0.48 115.679 -178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -70.14 -32.14 69.99 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 112.825 0.676 . . . . 0.81 112.825 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.4 -58.78 5.96 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.443 0.297 . . . . 0.88 111.603 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.0 mt -86.48 116.78 24.84 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 109.321 -0.622 . . . . 0.7 109.321 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.63 -40.32 52.82 Favored 'General case' 0 N--CA 1.486 1.353 0 N-CA-C 113.763 1.023 . . . . 1.23 113.763 -178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -110.23 118.97 37.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 117.821 0.282 . . . . 1.94 110.306 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.9 m -104.38 -31.51 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 112.28 0.474 . . . . 0.6 112.28 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.36 -41.92 11.06 Favored Glycine 0 C--N 1.349 1.256 0 CA-C-O 119.795 -0.447 . . . . 0.67 113.196 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -94.17 87.87 5.42 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.963 0.381 . . . . 0.92 111.485 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.14 32.84 5.23 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.953 0.501 . . . . 1.24 110.644 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -83.5 -37.83 22.58 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.175 0.19 . . . . 0.73 111.276 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.24 -33.33 75.73 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.514 0.326 . . . . 1.1 111.277 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -84.16 -43.63 14.78 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.866 0.467 . . . . 1.47 111.718 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.5 ttp -55.98 -45.67 78.91 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 112.606 0.595 . . . . 0.81 112.606 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -66.03 -33.36 75.63 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.478 0.311 . . . . 2.39 111.191 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -74.88 -29.6 61.05 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.77 0.428 . . . . 0.63 110.909 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.705 HD21 ' HB2' ' B' ' 79' ' ' LEU . 54.1 mt -74.63 -63.7 1.19 Allowed 'General case' 0 C--N 1.354 0.778 0 C-N-CA 122.869 0.468 . . . . 0.69 111.275 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.07 85.26 6.33 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.941 0.4 . . . . 1.32 110.47 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.6 p -86.48 -34.55 8.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 115.835 -0.62 . . . . 0.72 111.96 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.75 -24.98 61.86 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.317 0.488 . . . . 1.38 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 64.91 82.62 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.994 0.918 . . . . 2.02 112.19 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -146.9 15.66 1.21 Allowed 'General case' 0 CA--C 1.559 1.303 0 CA-C-N 115.218 -0.901 . . . . 1.3 111.859 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.2 t 76.57 -50.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 124.233 1.013 . . . . 1.35 112.568 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -78.0 127.6 32.59 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.801 0.44 . . . . 2.4 111.088 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -92.07 88.44 6.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.337 0.255 . . . . 1.13 110.371 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -61.32 159.32 12.62 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 122.913 0.485 . . . . 1.81 110.474 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.11 -27.62 68.87 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 118.493 0.588 . . . . 1.23 111.727 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -69.92 -20.3 63.36 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 110.099 -0.334 . . . . 0.99 110.099 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -102.78 -26.8 13.02 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.023 0.929 . . . . 0.93 111.346 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.641 ' HA ' HD22 ' B' ' 63' ' ' LEU . 74.6 t80 -83.1 -5.88 59.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.124 0.787 . . . . 0.71 113.124 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -15.96 60.07 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.878 0.763 . . . . 1.54 112.641 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.613 ' HB2' HD23 ' B' ' 63' ' ' LEU . 14.0 mmm-85 -65.8 -32.83 74.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.589 0.356 . . . . 2.15 110.866 178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.705 ' HB2' HD21 ' B' ' 63' ' ' LEU . 6.1 tp -83.6 -35.43 24.68 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 119.481 -0.295 . . . . 0.49 110.976 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.2 mm -55.27 -35.47 36.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 N-CA-C 109.89 -0.411 . . . . 0.56 109.89 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.56 -35.9 39.85 Favored Glycine 0 C--N 1.355 1.603 0 N-CA-C 111.803 -0.519 . . . . 0.42 111.803 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.96 -33.54 75.81 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 122.929 0.492 . . . . 0.91 110.685 177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.36 -50.6 64.93 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.037 0.535 . . . . 0.69 110.213 178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.61 -24.94 66.39 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 112.462 0.542 . . . . 0.55 112.462 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.0 -37.09 20.82 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.771 0.429 . . . . 1.1 111.815 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -81.3 -2.47 49.17 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.71 1.004 . . . . 1.68 113.71 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.417 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -76.87 -41.47 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.48 0.582 . . . . 0.63 110.754 178.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 -36.41 7.61 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.229 0.455 . . . . 1.64 112.229 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 10.0 pttt -129.71 76.71 1.74 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -95.32 -40.3 9.6 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 109.397 -0.594 . . . . 2.03 109.397 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -134.7 52.32 2.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.95 0.9 . . . . 1.36 108.654 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.6 -35.82 14.37 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.193 1.182 . . . . 1.72 114.193 -177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -73.97 -42.5 60.38 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.603 0.223 . . . . 1.27 111.603 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -75.69 -52.07 11.31 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.515 0.326 . . . . 1.61 110.961 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.7 pt -133.17 134.23 57.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.181 0.592 . . . . 1.04 110.728 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -135.8 43.15 2.59 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 122.569 0.348 . . . . 2.42 111.425 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.75 87.71 0.68 Allowed 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.106 0.479 . . . . 1.86 111.783 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 56.1 tttp . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.172 -0.918 . . . . 1.85 110.325 179.186 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.466 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptt? . . . . . 0 N--CA 1.499 1.982 0 N-CA-C 113.143 0.794 . . . . 2.71 113.143 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.72 154.09 32.27 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 122.854 0.462 . . . . 1.02 111.391 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.14 115.28 27.94 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.315 -0.402 . . . . 0.7 111.213 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.77 142.45 25.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 123.017 0.527 . . . . 1.02 110.631 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.24 131.31 35.86 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 122.797 2.332 . . . . 0.74 113.69 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.0 mt -126.22 -157.8 0.82 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 123.185 0.594 . . . . 1.19 109.911 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -56.33 161.82 2.37 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 123.044 0.538 . . . . 0.98 111.539 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -48.19 -45.02 33.23 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 113.422 0.897 . . . . 1.42 113.422 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.9 mt -76.9 -37.15 56.0 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 111.525 0.194 . . . . 0.65 111.525 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -71.18 -25.5 62.56 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.233 0.213 . . . . 1.03 110.731 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -83.99 -22.04 31.52 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 123.026 0.53 . . . . 0.81 111.524 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.8 m -56.84 -47.01 81.32 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 117.773 0.26 . . . . 0.63 110.796 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 14' ' ' GLU . 2.8 pp -76.33 -26.27 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.967 0 C-N-CA 122.235 0.214 . . . . 0.56 111.041 177.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.431 ' N ' HD12 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -70.03 -36.01 74.73 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.4 0.68 . . . . 1.0 112.123 179.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 m -55.84 -39.73 71.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 122.83 0.452 . . . . 0.77 112.201 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.5 t -72.93 -30.49 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 N-CA-C 110.647 -0.131 . . . . 0.5 110.647 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.2 t -81.65 -6.32 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 C-N-CA 122.995 0.518 . . . . 0.95 111.594 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -111.62 -22.05 11.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.157 0.799 . . . . 0.62 113.157 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -91.19 -57.79 2.67 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 112.86 0.689 . . . . 0.66 112.86 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -83.42 -12.09 56.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 113.534 0.938 . . . . 0.95 113.534 -178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -68.57 -18.8 64.41 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 118.522 0.601 . . . . 3.17 112.564 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 m -67.73 -32.34 72.89 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.665 0.386 . . . . 1.37 110.537 177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -98.92 -33.16 10.96 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.169 0.588 . . . . 1.55 111.514 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -35.11 72.97 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.038 0.755 . . . . 0.83 113.038 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -73.08 -17.5 61.41 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.971 0.73 . . . . 1.55 112.971 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -56.35 -37.84 70.56 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.264 0.626 . . . . 1.8 112.104 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -131.7 129.66 40.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.767 0.427 . . . . 1.59 111.441 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.95 95.37 0.04 OUTLIER Glycine 0 C--N 1.355 1.639 0 CA-C-O 119.741 -0.477 . . . . 0.92 114.169 178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.94 -178.11 0.05 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 123.492 0.717 . . . . 2.6 112.419 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -99.18 -33.07 10.91 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.948 0.499 . . . . 1.22 111.549 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.87 44.3 1.23 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.553 0.341 . . . . 1.43 110.998 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.9 t -147.56 139.67 24.32 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.826 0.306 . . . . 1.09 111.826 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -85.49 156.32 20.84 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.023 0.529 . . . . 0.76 110.343 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -93.95 156.01 16.84 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.348 0.259 . . . . 0.68 110.464 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.7 p -67.92 -24.18 30.16 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.265 0 N-CA-C 112.427 0.528 . . . . 0.64 112.427 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -98.67 -26.92 14.21 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.959 0.355 . . . . 0.82 111.959 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -77.68 -40.28 42.03 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 112.04 0.385 . . . . 1.54 112.04 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.15 -34.67 76.83 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 117.88 0.309 . . . . 0.65 111.12 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.7 tttp -66.45 -38.09 86.59 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.873 0.469 . . . . 0.87 111.633 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -67.56 -31.06 70.87 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.292 0.37 . . . . 0.73 111.542 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.3 tp -70.28 -34.06 72.33 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 0.65 111.39 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.5 t -73.85 -27.91 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 122.818 0.447 . . . . 0.45 110.917 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -104.34 33.22 3.61 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 122.537 0.335 . . . . 0.8 111.859 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -159.35 -61.88 0.07 Allowed 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.327 0.492 . . . . 1.1 112.327 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -102.1 -5.52 24.39 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.252 0.834 . . . . 0.84 113.252 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.5 OUTLIER -141.9 51.85 2.33 Favored Pre-proline 0 CA--C 1.559 1.306 0 C-N-CA 122.609 0.364 . . . . 0.67 111.41 179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 88.2 Cg_endo -87.09 -40.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 122.128 1.886 . . . . 0.52 115.104 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -68.46 -31.29 70.48 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 112.663 0.616 . . . . 0.85 112.663 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.1 tp -65.62 -63.02 1.19 Allowed 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 119.64 -0.219 . . . . 0.87 110.732 179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.96 97.07 10.96 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 109.032 -0.729 . . . . 0.73 109.032 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -50.02 -33.79 19.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 113.307 0.855 . . . . 1.32 113.307 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.66 88.2 5.76 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.884 -0.413 . . . . 2.08 109.884 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.7 m -93.88 -27.34 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 112.28 0.474 . . . . 0.71 112.28 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.17 -49.52 7.44 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-O 119.677 -0.513 . . . . 0.83 114.334 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -99.46 58.6 1.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 112.393 0.516 . . . . 0.85 112.393 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.96 63.47 4.48 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-O 121.149 0.5 . . . . 1.22 109.73 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -112.82 -38.62 4.5 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 115.848 -0.615 . . . . 0.77 111.506 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.77 -42.4 97.79 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 110.21 -0.292 . . . . 1.09 110.21 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.14 -42.15 76.39 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.905 -0.406 . . . . 1.55 109.905 177.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 47.3 ttp -56.16 -44.09 78.97 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.296 0.638 . . . . 0.84 111.566 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.86 -36.0 78.03 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.736 0.414 . . . . 2.56 111.172 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.3 m -71.63 -34.42 69.78 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.224 0.61 . . . . 0.61 111.85 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -68.65 -64.33 0.89 Allowed 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.227 0.211 . . . . 0.68 111.061 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -80.77 75.92 7.69 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.175 0.512 . . . . 1.39 110.128 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.3 p -84.93 -20.7 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 CA-C-N 115.567 -0.742 . . . . 0.73 112.212 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -82.9 -25.7 32.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.696 0.399 . . . . 1.44 111.89 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 63.54 62.15 0.96 Allowed 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.822 0.849 . . . . 1.96 111.515 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -129.41 15.11 6.09 Favored 'General case' 0 CA--C 1.554 1.106 0 CA-C-N 115.559 -0.746 . . . . 1.41 111.412 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.1 m 59.25 29.83 19.46 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.461 0.704 . . . . 1.31 111.681 -178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -142.34 127.98 19.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 122.775 0.43 . . . . 2.42 111.008 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 mp -106.04 74.12 1.03 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.685 0.394 . . . . 0.95 110.326 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -67.49 162.96 22.08 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 109.057 -0.72 . . . . 1.89 109.057 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -24.99 33.88 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 113.402 0.89 . . . . 1.2 113.402 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -72.09 -33.57 67.98 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.287 0.494 . . . . 0.98 110.366 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -88.11 -43.6 11.55 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.216 0.606 . . . . 1.03 110.306 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -65.18 -20.21 66.34 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.615 0.766 . . . . 0.69 111.419 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -55.85 -25.36 41.71 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.608 0.763 . . . . 1.62 111.688 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 mmm-85 -64.64 -34.09 77.46 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.395 0.278 . . . . 1.96 110.495 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.23 -32.65 49.9 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 109.826 -0.435 . . . . 0.53 109.826 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.3 mm -57.29 -32.11 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 123.036 0.534 . . . . 0.61 111.121 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.64 84.6 Favored Glycine 0 C--N 1.353 1.527 0 N-CA-C 111.293 -0.723 . . . . 0.47 111.293 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -73.84 -24.75 59.82 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 122.359 0.264 . . . . 0.86 110.396 177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.98 -50.09 73.48 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.191 0.596 . . . . 0.67 110.849 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -81.98 -21.34 37.2 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.292 0.478 . . . . 0.55 112.292 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -79.99 -34.67 38.38 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.9 0.48 . . . . 0.96 111.756 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -88.53 13.72 11.4 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 113.101 0.778 . . . . 1.65 113.101 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.437 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -86.07 -46.72 16.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 118.547 0.612 . . . . 0.66 110.553 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.13 -38.17 8.25 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 119.255 -0.403 . . . . 1.74 111.775 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -116.92 61.42 0.73 Allowed 'General case' 0 C--N 1.356 0.865 0 CA-C-O 121.001 0.429 . . . . 1.52 112.088 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -60.81 -34.94 75.29 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.769 -0.456 . . . . 1.87 109.769 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 tttm -160.72 69.6 0.37 Allowed 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 108.156 -1.053 . . . . 1.53 108.156 177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -53.05 -30.62 36.89 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 113.964 1.098 . . . . 1.81 113.964 -178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 mt -66.08 -39.11 89.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 111.852 0.316 . . . . 1.24 111.852 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -89.41 -49.99 6.37 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 122.666 0.386 . . . . 1.73 111.081 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 pt -124.66 125.44 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 C-N-CA 123.082 0.553 . . . . 1.06 110.537 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -128.02 27.48 5.67 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.094 0.776 . . . . 2.26 113.094 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -161.76 97.21 1.06 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 120.849 0.357 . . . . 1.74 111.38 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 31.8 tttp . . . . . 0 N--CA 1.474 0.735 0 CA-C-N 116.25 -0.432 . . . . 1.71 110.775 179.134 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.7 ptt? . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 111.726 0.269 . . . . 1.75 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 121.57 43.15 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 122.957 0.503 . . . . 0.78 110.706 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.473 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -70.45 114.55 8.67 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.1 0.407 . . . . 0.69 112.1 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -106.4 138.63 19.78 Favored Pre-proline 0 N--CA 1.475 0.819 0 CA-C-O 119.037 -0.506 . . . . 1.1 110.37 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.23 133.78 60.14 Favored 'Trans proline' 0 C--N 1.379 2.149 0 C-N-CA 122.937 2.425 . . . . 0.83 113.213 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.0 mt -132.12 -146.91 0.3 Allowed 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 119.034 -0.507 . . . . 1.24 110.273 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.3 m -60.54 160.32 9.17 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.977 0.808 . . . . 1.06 111.299 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.34 -40.68 12.22 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 113.82 1.044 . . . . 1.51 113.82 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 98.3 mt -77.3 -45.65 25.56 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-N 118.004 0.365 . . . . 0.65 111.445 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.75 -31.62 72.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.768 0.427 . . . . 0.95 111.085 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -73.5 -25.22 60.35 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.373 0.669 . . . . 0.85 111.391 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -60.2 -55.67 30.97 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.74 0.416 . . . . 0.56 111.021 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -71.08 -25.33 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 O-C-N 123.181 0.301 . . . . 0.53 111.285 178.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.473 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 8.4 tm-20 -67.41 -35.0 78.41 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.553 0.741 . . . . 1.0 111.397 178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 59.7 m -62.41 -33.91 75.7 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.75 0.42 . . . . 0.88 111.669 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -70.28 -26.39 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 122.637 0.375 . . . . 0.56 111.48 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.8 t -94.27 12.03 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 C-N-CA 122.743 0.417 . . . . 0.97 111.659 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.7 p -126.06 -45.45 1.71 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.168 0.587 . . . . 0.67 111.66 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -65.51 -43.51 89.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 122.645 0.378 . . . . 0.69 111.945 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.13 41.32 2.13 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.848 0.356 . . . . 1.02 111.173 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -97.14 -32.44 11.95 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.702 0.401 . . . . 3.08 111.07 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 27.1 m -66.41 -37.29 84.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 122.981 0.513 . . . . 1.37 111.811 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -82.52 -29.04 30.7 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 111.921 0.341 . . . . 1.54 111.921 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.44 -37.64 77.46 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 112.345 0.498 . . . . 0.85 112.345 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -73.92 -22.13 59.8 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 113.805 1.039 . . . . 1.73 113.805 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -63.96 -27.5 69.18 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.38 0.881 . . . . 1.68 113.38 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -131.68 99.78 4.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.112 0.415 . . . . 1.45 111.766 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.63 109.85 0.2 Allowed Glycine 0 C--N 1.35 1.314 0 N-CA-C 114.373 0.509 . . . . 0.86 114.373 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.49 -176.15 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.706 1.002 . . . . 2.62 113.706 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -97.8 -52.91 3.57 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.992 0.517 . . . . 1.11 111.801 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.7 44.7 1.11 Allowed 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.901 0.334 . . . . 1.36 111.901 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 91.1 p -147.38 127.36 13.63 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 122.407 0.283 . . . . 1.13 110.977 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mp -82.07 166.78 19.44 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 116.06 -0.518 . . . . 0.79 111.256 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 13.2 t -97.44 162.33 13.37 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 110.08 -0.341 . . . . 0.69 110.08 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 p -72.07 -25.95 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 N-CA-C 112.484 0.55 . . . . 0.71 112.484 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -98.55 -27.95 13.8 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.46 0.541 . . . . 0.83 112.46 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.34 -30.31 53.84 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.685 0.624 . . . . 1.61 112.685 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -70.64 -36.78 73.61 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 118.283 0.492 . . . . 0.66 110.422 178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -66.44 -35.43 80.27 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 122.67 0.388 . . . . 0.81 110.938 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.3 -33.78 76.51 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.243 -0.28 . . . . 0.69 110.243 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 60.3 tp -69.37 -38.6 78.11 Favored 'General case' 0 C--N 1.356 0.848 0 C-N-CA 122.828 0.451 . . . . 0.68 110.349 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -71.38 -29.05 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 122.674 0.39 . . . . 0.48 111.47 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -102.47 25.49 8.97 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.274 0.472 . . . . 0.83 112.274 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -148.82 -58.13 0.22 Allowed 'General case' 0 N--CA 1.479 1.025 0 O-C-N 121.862 -0.524 . . . . 0.98 112.182 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -105.91 -15.49 14.9 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.281 0.845 . . . . 0.73 113.281 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 49.38 4.69 Favored Pre-proline 0 CA--C 1.564 1.49 0 N-CA-C 112.295 0.48 . . . . 0.62 112.295 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -85.94 -34.22 0.17 Allowed 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 122.582 2.188 . . . . 0.48 114.903 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -72.95 -31.49 64.61 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.599 0.592 . . . . 0.81 112.599 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -69.13 -56.27 8.17 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.028 0.131 . . . . 0.88 110.813 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -85.53 107.61 17.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.242 -0.651 . . . . 0.7 109.242 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -51.86 -34.92 42.9 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 114.007 1.114 . . . . 1.23 114.007 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -103.09 94.11 5.36 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 122.31 0.244 . . . . 1.94 111.543 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.82 -35.6 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 CA-C-N 116.763 -0.199 . . . . 0.6 110.748 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.71 -45.09 5.58 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 123.391 0.432 . . . . 0.67 112.592 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -84.44 75.45 10.25 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 121.072 0.463 . . . . 0.92 110.594 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.39 -5.28 19.11 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 115.631 -0.713 . . . . 1.24 111.782 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -65.66 -31.86 73.1 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.905 0.705 . . . . 0.73 112.905 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.75 -37.46 86.42 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 122.483 0.313 . . . . 1.1 110.819 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -84.97 -47.09 10.61 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.525 0.33 . . . . 1.47 110.988 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -46.65 -47.07 20.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 113.404 0.89 . . . . 0.81 113.404 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -61.88 -35.6 78.79 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.724 0.238 . . . . 2.39 111.562 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 47.3 m -72.55 -28.12 62.64 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.064 0.228 . . . . 0.63 111.544 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 mt -72.6 -57.86 3.81 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 110.16 -0.311 . . . . 0.69 110.16 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -83.19 84.6 7.42 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.402 0.438 . . . . 1.32 110.027 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -91.77 -28.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 CA-C-N 115.592 -0.731 . . . . 0.72 112.099 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -71.74 -31.4 66.63 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.544 0.338 . . . . 1.38 111.3 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 66.9 75.1 0.32 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 123.909 0.884 . . . . 2.02 112.212 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -154.42 24.61 0.47 Allowed 'General case' 0 CA--C 1.554 1.123 0 CA-C-N 115.988 -0.551 . . . . 1.3 111.397 178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t 54.49 38.89 30.54 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.444 0.698 . . . . 1.35 112.45 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -141.41 118.79 11.48 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.387 -0.37 . . . . 2.4 110.432 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.2 mp -100.06 71.81 1.64 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.137 0.494 . . . . 1.13 110.292 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -66.46 158.54 29.25 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.799 -0.637 . . . . 1.81 109.594 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -51.42 -26.46 8.03 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 113.266 0.839 . . . . 1.23 113.266 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -75.81 -35.14 60.13 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 117.824 0.284 . . . . 0.99 110.347 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.96 -38.58 20.82 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.166 0.586 . . . . 0.93 110.432 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -73.88 -15.17 61.16 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.51 0.724 . . . . 0.71 110.933 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -53.68 -31.36 47.54 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.342 1.057 . . . . 1.54 112.848 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mmm-85 -65.48 -35.47 81.0 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 117.969 0.35 . . . . 2.15 111.408 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.3 tp -77.42 -33.42 54.95 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 119.382 -0.342 . . . . 0.49 111.094 179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.45 -36.29 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 N-CA-C 110.25 -0.278 . . . . 0.56 110.25 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.23 -37.99 71.8 Favored Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.98 -0.448 . . . . 0.42 111.98 177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.34 -30.86 69.92 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.64 0.376 . . . . 0.91 110.524 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.59 -41.85 98.31 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.17 0.294 . . . . 0.69 110.363 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.84 52.23 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.089 0.774 . . . . 0.55 113.089 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -25.93 48.74 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 112.451 0.538 . . . . 1.1 112.451 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -96.57 13.33 28.51 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 113.433 0.901 . . . . 1.68 113.433 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.462 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.1 OUTLIER -86.17 -46.5 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 118.798 0.727 . . . . 0.63 111.117 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.99 -31.7 10.99 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 112.153 0.427 . . . . 1.64 112.153 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 48.3 pttt -127.34 61.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.544 0.572 . . . . 1.65 112.544 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -40.39 79.22 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 110.207 -0.294 . . . . 2.03 110.207 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -138.25 66.81 1.43 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 109.054 -0.721 . . . . 1.36 109.054 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.96 -31.07 49.44 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.488 1.292 . . . . 1.72 114.488 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.1 tp -77.9 -36.14 49.91 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 112.685 0.624 . . . . 1.27 112.685 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -88.61 -56.96 3.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.557 0.343 . . . . 1.61 111.215 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 15.2 pt -118.02 131.14 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 123.207 0.603 . . . . 1.04 110.785 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -147.12 51.41 1.08 Allowed 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 112.867 0.691 . . . . 2.42 112.867 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.27 34.24 0.28 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 112.244 0.461 . . . . 1.86 112.244 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.4 tttp . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.178 -0.915 . . . . 1.85 111.262 -179.408 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.425 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 112.331 0.493 . . . . 2.71 112.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.38 155.64 20.99 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.009 0.524 . . . . 1.02 111.492 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.23 135.63 37.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.267 -0.424 . . . . 0.7 111.101 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -124.03 142.04 38.66 Favored Pre-proline 0 CA--C 1.552 1.036 0 C-N-CA 122.851 0.461 . . . . 1.02 111.009 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.17 132.25 33.37 Favored 'Trans proline' 0 C--N 1.383 2.373 0 C-N-CA 122.748 2.298 . . . . 0.74 113.15 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.1 mt -130.25 -135.19 0.21 Allowed 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 123.283 0.633 . . . . 1.19 109.505 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -62.68 164.52 7.61 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.102 0.865 . . . . 0.98 111.365 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -52.61 -41.5 63.73 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 113.026 0.75 . . . . 1.42 113.026 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -73.94 -38.72 64.17 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 117.725 0.239 . . . . 0.65 110.887 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 -29.73 64.63 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.05 0.54 . . . . 1.03 111.525 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -78.43 -21.61 48.94 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.824 0.449 . . . . 0.81 111.639 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -59.68 -55.58 32.56 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.824 0.449 . . . . 0.63 111.314 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.6 pp -75.08 -20.96 16.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 111.878 0.325 . . . . 0.56 111.878 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 13' ' ' ILE . 5.9 tm-20 -68.47 -31.58 70.97 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.072 0.549 . . . . 1.0 111.385 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.6 m -59.76 -39.34 84.48 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.902 0.481 . . . . 0.77 112.068 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.4 t -70.17 -26.89 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 122.201 0.2 . . . . 0.5 111.267 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.16 -13.51 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 N-CA-C 112.427 0.529 . . . . 0.95 112.427 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.9 p -112.78 -12.15 13.39 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 113.265 0.839 . . . . 0.62 113.265 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.6 m -97.39 -59.78 1.71 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.357 0.526 . . . . 0.66 112.26 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' HD13 ' A' ' 41' ' ' LEU . 61.3 t80 -85.48 -36.39 20.59 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 112.997 0.74 . . . . 0.95 112.997 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -58.64 -23.02 58.28 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 112.874 0.694 . . . . 3.17 112.874 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -63.0 -31.39 72.51 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.591 0.356 . . . . 1.37 111.072 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -97.37 -31.89 12.15 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.105 0.562 . . . . 1.55 111.727 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.05 0.59 35.17 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.151 1.167 . . . . 0.83 114.151 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -82.5 -13.85 55.98 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 113.154 0.798 . . . . 1.55 113.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -73.48 -41.22 63.41 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.326 0.862 . . . . 1.8 113.326 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -99.06 111.26 23.7 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 112.589 0.589 . . . . 1.59 112.589 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.8 100.71 0.01 OUTLIER Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.849 1.1 . . . . 0.92 115.849 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? 61.82 156.21 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.618 0.97 . . . . 2.6 113.618 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -85.17 -34.04 22.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 122.871 0.468 . . . . 1.22 111.355 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -101.42 50.13 0.86 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.831 0.452 . . . . 1.43 110.265 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.6 t -155.77 141.05 17.58 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.278 -0.419 . . . . 1.09 111.536 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.2 mp -92.32 149.27 21.53 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.388 0.675 . . . . 0.76 110.289 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -88.04 151.45 22.74 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 111.503 0.186 . . . . 0.68 111.503 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.4 -29.54 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 112.942 0.719 . . . . 0.64 112.942 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -96.29 -33.04 12.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 112.052 0.389 . . . . 0.82 112.052 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -71.24 -41.67 69.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.174 0.435 . . . . 1.54 112.174 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.1 -34.83 79.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 117.737 0.244 . . . . 0.65 110.962 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -64.73 -41.96 95.57 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.02 0.528 . . . . 0.87 111.047 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.2 -27.98 64.93 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 123.215 0.322 . . . . 0.73 111.65 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 20' ' ' PHE . 24.3 tp -67.79 -37.39 81.97 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.666 0.386 . . . . 0.65 111.271 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.1 t -71.02 -26.79 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 122.55 0.34 . . . . 0.45 111.707 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -104.65 21.99 15.86 Favored 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 112.416 0.524 . . . . 0.8 112.416 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -139.81 -62.42 0.52 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 118.307 0.503 . . . . 1.1 111.766 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -106.17 1.16 25.92 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.851 0.686 . . . . 0.84 112.851 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.84 45.04 0.64 Allowed Pre-proline 0 CA--C 1.562 1.415 0 N-CA-C 112.02 0.378 . . . . 0.67 112.02 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -82.22 -36.22 0.3 Allowed 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 122.065 1.843 . . . . 0.52 114.377 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -72.23 -35.34 68.82 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 122.645 0.378 . . . . 0.85 111.949 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -64.46 -57.25 9.77 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.551 0.34 . . . . 0.87 110.747 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.4 mt -102.4 95.85 6.55 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 108.589 -0.893 . . . . 0.73 108.589 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -56.49 -28.83 60.82 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.131 0.789 . . . . 1.32 113.131 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -84.61 85.68 7.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 122.392 0.277 . . . . 2.08 111.303 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.5 m -88.0 -37.35 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 116.186 -0.461 . . . . 0.71 110.376 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.09 -30.19 23.52 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 112.029 -0.429 . . . . 0.83 112.029 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.0 t -95.81 50.94 1.23 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.033 0.533 . . . . 0.85 110.32 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.485 ' O ' HD13 ' A' ' 56' ' ' LEU . 0.6 OUTLIER -88.74 -21.16 23.98 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.974 0.51 . . . . 1.22 111.102 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -53.1 -34.09 55.1 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.886 0.698 . . . . 0.77 112.886 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.04 -40.46 96.35 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.162 0.185 . . . . 1.09 110.888 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -77.59 -40.71 41.3 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 122.837 0.455 . . . . 1.55 111.097 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -57.53 -38.85 75.36 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.072 0.549 . . . . 0.84 111.901 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -61.99 -35.31 78.14 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.574 0.35 . . . . 2.56 111.762 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -75.2 -29.73 60.42 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.747 0.419 . . . . 0.61 111.839 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.61 HD22 ' HA ' ' A' ' 76' ' ' TYR . 47.7 mt -73.51 -53.47 10.51 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.387 0.275 . . . . 0.68 111.086 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -78.45 78.6 4.91 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 120.957 0.408 . . . . 1.39 111.137 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -97.56 -36.91 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 115.884 -0.598 . . . . 0.73 110.796 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -72.12 -29.8 64.43 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 122.992 0.517 . . . . 1.44 110.977 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 62.34 71.54 0.53 Allowed 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.307 1.043 . . . . 1.96 111.539 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -142.83 15.77 1.95 Allowed 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 115.747 -0.66 . . . . 1.41 111.77 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t 60.33 28.18 17.78 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.643 0.777 . . . . 1.31 112.286 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -140.56 131.52 26.12 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.952 0.501 . . . . 2.42 110.186 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mp -108.63 86.51 2.3 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 111.546 0.202 . . . . 0.95 111.546 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -69.66 172.69 7.07 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 109.012 -0.736 . . . . 1.89 109.012 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' B' ' 84' ' ' ALA . 1.0 OUTLIER -69.7 -24.86 63.64 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 118.451 0.568 . . . . 1.2 111.773 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -71.77 -29.41 64.45 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 109.561 -0.533 . . . . 0.98 109.561 176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -89.32 -42.04 11.8 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 123.708 0.803 . . . . 1.03 110.415 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.61 ' HA ' HD22 ' A' ' 63' ' ' LEU . 51.6 t80 -72.19 -11.4 60.71 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.528 0.731 . . . . 0.69 111.954 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -26.47 13.74 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.846 0.859 . . . . 1.62 113.082 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HB2' HD23 ' A' ' 63' ' ' LEU . 51.3 mmm-85 -68.17 -38.61 82.25 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.077 0.399 . . . . 1.96 111.497 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' A' ' 63' ' ' LEU . 11.9 tp -80.83 -23.24 39.31 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-O 119.801 -0.142 . . . . 0.53 110.838 178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.0 mm -67.1 -37.54 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.663 -0.495 . . . . 0.61 109.663 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -70.05 -39.29 73.73 Favored Glycine 0 C--N 1.354 1.553 0 N-CA-C 111.408 -0.677 . . . . 0.47 111.408 177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.71 -16.26 61.2 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 122.575 0.35 . . . . 0.86 110.963 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.91 -52.1 58.26 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 123.263 0.625 . . . . 0.67 110.66 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.636 ' HB2' ' HB ' ' B' ' 13' ' ' ILE . . . -88.53 -8.63 54.47 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 112.358 0.503 . . . . 0.55 112.358 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -85.63 -37.26 19.69 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.413 0.285 . . . . 0.96 110.455 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -86.01 12.01 10.36 Favored 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.266 0.839 . . . . 1.65 113.266 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -101.51 -39.69 6.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 118.299 0.5 . . . . 0.66 109.904 178.383 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -101.42 -36.14 8.95 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.759 0.424 . . . . 1.74 111.781 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -130.98 75.25 1.65 Allowed 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.09 0.471 . . . . 1.52 111.885 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ptmm? -98.31 -53.41 3.36 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 116.041 -0.527 . . . . 1.87 110.049 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -113.72 51.75 0.84 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.287 -0.634 . . . . 1.53 109.287 178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.11 73.94 1.74 Allowed 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.441 0.639 . . . . 1.81 112.182 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -165.44 -50.99 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 115.525 -0.761 . . . . 1.24 110.287 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -100.7 -51.11 3.67 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 123.184 0.594 . . . . 1.73 110.543 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.3 pt -120.49 116.42 50.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.354 0.409 . . . . 1.06 110.81 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -135.71 63.64 1.59 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 120.898 0.38 . . . . 2.26 111.639 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -165.86 86.68 0.36 Allowed 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 116.148 -0.478 . . . . 1.74 111.804 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 N--CA 1.478 0.967 0 CA-C-N 115.967 -0.56 . . . . 1.71 110.274 178.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptm . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.05 0.389 . . . . 1.75 112.05 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.17 152.47 19.33 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 122.36 0.264 . . . . 0.78 111.485 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.56 121.0 27.64 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.177 -0.465 . . . . 0.69 111.981 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -105.13 141.13 21.93 Favored Pre-proline 0 CA--C 1.553 1.09 0 CA-C-O 119.071 -0.49 . . . . 1.1 110.332 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.52 140.9 94.73 Favored 'Trans proline' 0 C--N 1.384 2.414 0 C-N-CA 123.078 2.519 . . . . 0.83 114.657 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.1 mt -136.23 -160.26 1.04 Allowed 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 123.427 0.691 . . . . 1.24 110.215 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -58.78 161.07 5.09 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 118.802 0.728 . . . . 1.06 111.384 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -43.42 -49.34 7.15 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.566 0.95 . . . . 1.51 113.566 -179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 73.8 mt -70.56 -40.09 73.56 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 117.921 0.328 . . . . 0.65 111.449 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.94 -24.73 62.49 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.779 0.432 . . . . 0.95 111.532 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -87.18 -10.09 53.55 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 123.001 0.52 . . . . 0.85 112.387 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 60.6 m -60.51 -47.57 85.59 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 117.949 0.34 . . . . 0.56 111.014 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.636 ' HB ' ' HB2' ' A' ' 84' ' ' ALA . 2.4 pp -85.21 -21.88 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 122.33 0.252 . . . . 0.53 111.202 178.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.564 ' N ' HD12 ' B' ' 13' ' ' ILE . 9.9 tm-20 -65.44 -40.04 92.8 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.232 0.613 . . . . 1.0 110.418 178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -66.51 -31.67 72.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 122.723 0.409 . . . . 0.88 111.621 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 79.7 t -67.57 -36.29 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.359 0.264 . . . . 0.56 110.474 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -71.73 -50.75 36.66 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 C-N-CA 122.407 0.283 . . . . 0.97 110.693 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.3 p -58.07 -37.24 74.06 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 114.18 1.178 . . . . 0.67 114.18 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -72.94 -31.93 64.93 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.558 0.948 . . . . 0.69 113.558 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -115.37 -3.7 12.42 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.59 1.33 . . . . 1.02 114.59 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -66.06 -36.15 82.44 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.774 1.17 . . . . 3.08 111.838 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -63.96 -35.28 80.17 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.297 0.239 . . . . 1.37 111.01 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -85.9 -25.34 26.21 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.79 0.436 . . . . 1.54 110.893 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.43 -20.7 62.08 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.969 0.508 . . . . 0.85 112.239 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -91.92 25.34 2.83 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 112.151 0.426 . . . . 1.73 112.151 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -87.07 -35.04 18.94 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 122.719 0.407 . . . . 1.68 110.844 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.92 -159.52 0.68 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 123.196 0.599 . . . . 1.45 110.35 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.06 145.39 46.25 Favored Glycine 0 C--N 1.358 1.776 0 CA-C-N 118.284 0.493 . . . . 0.86 114.223 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? 60.7 126.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 124.394 1.078 . . . . 2.62 112.534 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.34 -42.26 68.75 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 116.328 -0.397 . . . . 1.11 111.088 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -90.66 53.01 2.31 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 109.788 -0.449 . . . . 1.36 109.788 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 16.3 t -156.6 143.15 18.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 116.49 -0.323 . . . . 1.13 111.575 -178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mp -92.63 169.22 10.68 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.527 0.517 . . . . 0.79 110.387 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 34.8 t -105.61 159.84 15.65 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.573 0.349 . . . . 0.69 111.009 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.72 -25.51 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.086 0 N-CA-C 112.103 0.408 . . . . 0.71 112.103 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -95.97 -35.27 11.48 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.091 0.404 . . . . 0.83 112.091 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.83 -41.43 64.87 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.486 0.55 . . . . 1.61 112.486 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -33.12 74.88 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.928 0.331 . . . . 0.66 111.259 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -68.63 -36.79 79.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 122.77 0.428 . . . . 0.81 110.628 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -77.06 -30.77 55.71 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.667 0.387 . . . . 0.69 111.67 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.87 -34.92 79.04 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.668 0.387 . . . . 0.68 110.988 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.44 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 76.1 t -77.2 -25.32 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 C-N-CA 122.914 0.485 . . . . 0.48 111.431 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -90.01 -6.72 55.28 Favored 'General case' 0 CA--C 1.555 1.151 0 N-CA-C 113.308 0.855 . . . . 0.83 113.308 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -127.62 -51.46 1.37 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.99 0.737 . . . . 0.98 112.99 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -102.39 -8.35 21.23 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.146 1.165 . . . . 0.73 114.146 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.44 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 0.6 OUTLIER -142.29 48.32 1.07 Allowed Pre-proline 0 CA--C 1.562 1.424 0 CA-C-N 118.877 0.762 . . . . 0.62 111.881 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -84.53 -29.62 0.77 Allowed 'Trans proline' 0 C--N 1.378 2.11 0 C-N-CA 122.109 1.873 . . . . 0.48 114.905 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -75.22 -21.01 58.95 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.871 0.693 . . . . 0.81 112.871 -178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.5 tp -76.49 -52.53 9.62 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.692 0.223 . . . . 0.88 111.052 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.6 107.45 19.9 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.916 -0.772 . . . . 0.7 108.916 178.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.73 -37.71 66.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.332 0.864 . . . . 1.23 113.332 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -95.46 83.94 3.9 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 109.926 -0.398 . . . . 1.94 109.926 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.0 m -71.33 -28.92 33.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 116.177 -0.465 . . . . 0.6 112.038 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.69 -40.06 7.37 Favored Glycine 0 C--N 1.353 1.512 0 CA-C-O 119.47 -0.628 . . . . 0.67 113.498 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 34.7 t -87.69 83.37 7.19 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.815 0.808 . . . . 0.92 111.215 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.1 7.51 19.69 Favored 'General case' 0 CA--C 1.555 1.145 0 CA-C-N 115.612 -0.722 . . . . 1.24 110.802 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -70.48 -28.95 65.39 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.613 0.597 . . . . 0.73 112.613 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -68.21 -41.46 81.28 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.227 0.211 . . . . 1.1 111.27 179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -79.1 -41.73 27.97 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 122.563 0.345 . . . . 1.47 110.945 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 54.1 ttp -51.88 -35.84 46.56 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 112.92 0.711 . . . . 0.81 112.92 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -67.57 -44.98 76.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 111.481 0.178 . . . . 2.39 111.481 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -72.27 -34.18 68.02 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 122.46 0.304 . . . . 0.63 111.76 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.455 ' HB3' HD23 ' B' ' 71' ' ' LEU . 28.2 mt -68.52 -55.94 10.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.176 0.191 . . . . 0.69 110.712 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -94.39 57.64 2.31 Favored 'General case' 0 CA--C 1.551 0.986 0 CA-C-O 121.094 0.473 . . . . 1.32 110.202 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -80.65 -29.04 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 116.097 -0.502 . . . . 0.72 111.822 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -68.29 -25.08 64.96 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 123.026 0.53 . . . . 1.38 111.184 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 64.53 87.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.354 1.062 . . . . 2.02 112.404 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -159.2 35.31 0.2 Allowed 'General case' 0 CA--C 1.555 1.153 0 CA-C-N 115.943 -0.571 . . . . 1.3 111.342 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m 63.21 -74.55 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.297 1.039 . . . . 1.35 113.343 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.03 142.2 45.75 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-N 118.114 0.415 . . . . 2.4 112.014 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' B' ' 63' ' ' LEU . 7.1 mp -99.94 99.68 10.48 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 116.054 -0.521 . . . . 1.13 110.766 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -67.01 175.92 2.33 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.74 -0.647 . . . . 1.81 109.295 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 84' ' ' ALA . 5.2 t80 -65.35 -25.0 67.39 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.717 1.144 . . . . 1.23 111.83 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -70.49 -34.88 72.86 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.256 -0.646 . . . . 0.99 109.256 176.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -82.03 -39.85 22.92 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.327 0.651 . . . . 0.93 109.602 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.429 ' CE2' HD11 ' B' ' 80' ' ' ILE . 45.5 t80 -88.66 62.17 6.37 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.811 -1.181 . . . . 0.71 107.811 177.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -113.46 -46.37 3.07 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.365 1.066 . . . . 1.54 110.931 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -63.47 -29.37 70.66 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 112.98 0.733 . . . . 2.15 112.98 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 4.8 tp -78.68 -28.72 45.3 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.012 0.369 . . . . 0.49 111.099 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.429 HD11 ' CE2' ' B' ' 76' ' ' TYR . 37.4 mm -68.72 -37.46 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 108.783 -0.821 . . . . 0.56 108.783 177.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.13 -42.01 78.17 Favored Glycine 0 C--N 1.357 1.735 0 N-CA-C 111.032 -0.827 . . . . 0.42 111.032 176.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.29 -26.89 64.96 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.89 0.476 . . . . 0.91 110.634 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.58 -51.29 70.07 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.17 0.588 . . . . 0.69 110.95 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -86.59 -15.59 39.36 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 112.559 0.577 . . . . 0.55 112.559 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -79.82 -44.12 21.14 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.124 0.42 . . . . 1.1 110.79 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.65 -26.38 61.63 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 112.207 0.447 . . . . 1.68 112.207 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.8 -37.94 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 122.787 0.435 . . . . 0.63 111.954 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -107.68 -40.8 5.2 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.433 0.531 . . . . 1.64 112.433 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -124.81 69.86 1.12 Allowed 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.473 0.545 . . . . 1.65 112.473 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.6 pttm -82.75 -41.28 19.42 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 116.193 -0.458 . . . . 2.03 110.505 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -139.05 63.41 1.51 Allowed 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 108.962 -0.755 . . . . 1.36 108.962 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -76.76 76.41 3.39 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 115.229 -0.896 . . . . 1.72 113.235 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 tp -159.9 -53.07 0.06 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.695 -0.684 . . . . 1.27 110.088 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -92.91 -44.34 8.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.135 0.574 . . . . 1.61 110.095 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 pt -126.35 133.99 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 122.953 0.501 . . . . 1.04 110.929 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -162.57 57.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.581 0.353 . . . . 2.42 111.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -163.02 52.04 0.17 Allowed 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 112.144 0.424 . . . . 1.86 112.144 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 40.0 tttp . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.228 -0.892 . . . . 1.85 110.245 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.415 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.442 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ptt? . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.503 0.668 . . . . 2.71 111.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.52 135.21 18.61 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.234 -0.893 . . . . 1.02 110.174 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.07 108.51 19.63 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.071 0.148 . . . . 0.7 110.906 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.45 139.71 21.38 Favored Pre-proline 0 N--CA 1.478 0.941 0 C-N-CA 122.817 0.447 . . . . 1.02 110.892 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.13 134.52 46.22 Favored 'Trans proline' 0 C--N 1.381 2.24 0 C-N-CA 122.636 2.224 . . . . 0.74 113.276 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.7 mt -134.34 -137.32 0.17 Allowed 'General case' 0 CA--C 1.563 1.472 0 CA-C-O 118.826 -0.607 . . . . 1.19 109.761 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m -61.04 167.95 2.7 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 119.277 0.944 . . . . 0.98 111.392 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -53.48 -44.3 68.89 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 113.066 0.765 . . . . 1.42 113.066 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -76.34 -36.0 58.47 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 117.632 0.197 . . . . 0.65 111.292 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -73.77 -30.15 62.61 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.617 0.367 . . . . 1.03 111.0 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -75.88 -29.21 58.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.884 0.474 . . . . 0.81 110.491 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.1 m -62.47 -50.01 73.14 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 122.548 0.339 . . . . 0.63 110.531 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -72.59 -16.69 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 N-CA-C 112.037 0.384 . . . . 0.56 112.037 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -80.95 -42.27 21.54 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 123.336 0.654 . . . . 1.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -59.57 -35.5 74.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.932 0.493 . . . . 0.77 112.082 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.07 -30.13 49.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 110.148 -0.316 . . . . 0.5 110.148 178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 51.6 t -78.31 -64.69 0.86 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 C-N-CA 122.807 0.443 . . . . 0.95 111.209 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.5 p -54.17 -35.76 62.65 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 115.144 1.535 . . . . 0.62 115.144 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.2 m -67.33 -42.37 83.71 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 113.688 0.996 . . . . 0.66 113.688 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -106.81 -19.59 13.6 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.21 1.189 . . . . 0.95 114.21 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -67.64 -20.5 65.34 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.296 0.953 . . . . 3.17 112.556 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.7 m -64.75 -35.15 80.15 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 118.181 0.446 . . . . 1.37 110.972 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -99.08 -24.66 14.81 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.173 0.589 . . . . 1.55 112.047 179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.71 -23.48 42.32 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 113.147 0.795 . . . . 0.83 113.147 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.74 -17.5 64.06 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.55 0.944 . . . . 1.55 113.55 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -68.69 -28.21 66.65 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.35 0.87 . . . . 1.8 113.35 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -118.74 127.18 53.31 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.751 0.649 . . . . 1.59 112.751 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.22 95.59 0.01 OUTLIER Glycine 0 C--N 1.357 1.75 0 N-CA-C 114.704 0.642 . . . . 0.92 114.704 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 60.62 169.77 0.09 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.44 0.696 . . . . 2.6 111.875 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -83.01 -59.33 2.52 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 116.496 -0.32 . . . . 1.22 111.428 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.14 67.19 5.0 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 120.988 0.423 . . . . 1.43 110.952 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t -159.79 131.27 6.06 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 115.846 -0.616 . . . . 1.09 110.879 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -81.91 156.59 24.7 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 110.33 -0.248 . . . . 0.76 110.33 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -96.78 151.47 19.62 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.457 -0.201 . . . . 0.68 110.457 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.62 -27.94 43.86 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.255 0 N-CA-C 112.695 0.628 . . . . 0.64 112.695 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -96.95 -33.93 11.4 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.409 0.522 . . . . 0.82 112.409 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.1 -41.96 73.34 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 112.188 0.44 . . . . 1.54 112.188 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.69 -32.98 74.64 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 117.539 0.154 . . . . 0.65 110.938 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -60.06 -37.91 81.26 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.133 0.573 . . . . 0.87 111.623 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -72.35 -32.53 66.55 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.21 0.204 . . . . 0.73 111.303 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 30.8 tp -64.7 -39.92 94.48 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.839 0.455 . . . . 0.65 111.914 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.8 t -72.35 -27.66 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 111.994 0.368 . . . . 0.45 111.994 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -102.27 21.16 15.49 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 112.158 0.429 . . . . 0.8 112.158 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -147.65 -57.03 0.24 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 121.796 -0.565 . . . . 1.1 112.461 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -101.18 -12.85 18.43 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.822 0.675 . . . . 0.84 112.822 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.37 48.41 1.91 Allowed Pre-proline 0 CA--C 1.558 1.278 0 CA-C-N 118.171 0.441 . . . . 0.67 111.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -85.91 -29.1 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 122.066 1.844 . . . . 0.52 114.391 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -77.57 -20.71 53.62 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.665 0.617 . . . . 0.85 112.665 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.1 tp -73.74 -56.3 5.16 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 117.918 0.326 . . . . 0.87 110.789 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -91.1 114.77 27.38 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.836 -0.802 . . . . 0.73 108.836 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.94 -34.35 67.91 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 113.697 0.999 . . . . 1.32 113.697 -178.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -105.05 89.09 3.03 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 120.936 0.398 . . . . 2.08 110.361 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.5 m -77.05 -28.97 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.081 -0.508 . . . . 0.71 111.837 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.58 -57.78 4.08 Favored Glycine 0 C--N 1.351 1.379 0 O-C-N 123.213 0.32 . . . . 0.83 113.048 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.8 t -85.64 88.08 7.49 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 120.766 0.317 . . . . 0.85 111.218 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.71 3.69 21.17 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 116.142 -0.481 . . . . 1.22 111.462 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.19 -29.02 66.92 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 112.773 0.657 . . . . 0.77 112.773 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -61.82 -40.01 93.8 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 117.683 0.22 . . . . 1.09 110.871 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -87.81 -34.85 18.13 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 122.496 0.319 . . . . 1.55 110.751 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 41.6 ttp -57.67 -36.96 72.61 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 122.547 0.339 . . . . 0.84 111.429 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -65.81 -33.5 76.0 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 122.887 0.117 . . . . 2.56 110.709 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.0 m -75.48 -28.62 59.28 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.408 0.283 . . . . 0.61 110.541 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 79' ' ' LEU . 72.2 mt -73.21 -61.67 1.74 Allowed 'General case' 0 C--N 1.361 1.104 0 C-N-CA 122.414 0.286 . . . . 0.68 110.389 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -83.9 70.86 10.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.213 0.53 . . . . 1.39 109.903 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.29 -19.34 7.5 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.093 0 CA-C-N 115.427 -0.806 . . . . 0.73 111.82 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -84.87 -14.38 48.03 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 112.248 0.462 . . . . 1.44 112.248 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 59.11 51.53 6.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.437 0.695 . . . . 1.96 111.482 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.44 2.24 12.42 Favored 'General case' 0 CA--C 1.552 1.028 0 CA-C-N 115.734 -0.666 . . . . 1.41 112.078 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 t 64.02 25.97 13.96 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.385 0.674 . . . . 1.31 111.632 -178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -140.52 126.9 19.96 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.092 0.557 . . . . 2.42 110.0 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 mp -98.47 69.76 1.93 Allowed 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 120.991 0.424 . . . . 0.95 110.058 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -65.65 159.17 25.47 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 115.849 -0.614 . . . . 1.89 109.731 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.81 -30.59 61.62 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.145 1.165 . . . . 1.2 114.145 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -70.2 -32.85 70.95 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 118.071 0.396 . . . . 0.98 110.183 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.3 -35.17 15.42 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 123.379 0.672 . . . . 1.03 110.856 178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.625 ' HA ' HD22 ' A' ' 63' ' ' LEU . 75.8 t80 -78.99 -2.33 39.7 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.264 1.025 . . . . 0.69 112.537 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -21.23 66.54 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.564 0.579 . . . . 1.62 112.564 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.568 ' HB2' HD23 ' A' ' 63' ' ' LEU . 23.4 mmm-85 -66.3 -31.9 72.99 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.002 0.364 . . . . 1.96 111.442 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.693 ' HB2' HD21 ' A' ' 63' ' ' LEU . 13.3 tp -81.69 -29.22 33.12 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 119.521 -0.275 . . . . 0.53 110.286 178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -64.59 -38.78 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 N-CA-C 109.396 -0.594 . . . . 0.61 109.396 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.79 -37.83 88.94 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 111.551 -0.62 . . . . 0.47 111.551 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -76.76 -23.28 52.95 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 122.637 0.375 . . . . 0.86 110.657 177.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.06 -52.33 59.87 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 122.861 0.464 . . . . 0.67 110.243 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -75.06 -32.08 61.42 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.53 0.567 . . . . 0.55 112.53 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -75.17 -25.29 58.18 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.28 0.474 . . . . 0.96 112.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -99.47 33.41 2.48 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 112.698 0.629 . . . . 1.65 112.698 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -39.86 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 122.448 0.299 . . . . 0.66 110.417 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.87 -28.06 10.85 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.244 0.461 . . . . 1.74 112.244 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -131.04 45.42 2.82 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 112.288 0.477 . . . . 1.52 112.288 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -38.02 89.53 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 122.218 -0.301 . . . . 1.87 111.611 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -127.29 67.42 1.29 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.321 -0.622 . . . . 1.53 109.321 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -73.99 76.52 1.69 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 121.175 0.512 . . . . 1.81 111.208 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.4 tp -167.99 -52.25 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 115.885 -0.598 . . . . 1.24 110.659 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -100.27 -50.01 4.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.999 0.52 . . . . 1.73 110.806 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 44.2 pt -107.28 141.04 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 122.813 0.445 . . . . 1.06 111.177 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.77 38.26 0.37 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 112.622 0.601 . . . . 2.26 112.622 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -161.55 94.03 0.95 Allowed 'General case' 0 N--CA 1.48 1.068 0 CA-C-O 120.878 0.371 . . . . 1.74 110.901 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 52.5 tttp . . . . . 0 N--CA 1.475 0.79 0 C-N-CA 122.985 0.514 . . . . 1.71 110.741 -179.422 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 111.953 0.353 . . . . 1.75 111.953 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.94 146.92 46.13 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 123.12 0.568 . . . . 0.78 110.738 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.58 126.01 44.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.753 0.421 . . . . 0.69 111.135 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -118.62 145.2 36.99 Favored Pre-proline 0 CA--C 1.555 1.136 0 C-N-CA 122.965 0.506 . . . . 1.1 111.198 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -76.56 127.21 9.49 Favored 'Trans proline' 0 C--N 1.382 2.295 0 C-N-CA 122.357 2.038 . . . . 0.83 111.393 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.3 mt -126.08 -60.37 1.28 Allowed 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.723 0.409 . . . . 1.24 111.476 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.3 m -122.35 161.56 23.18 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.299 0.64 . . . . 1.06 109.862 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -58.44 -30.78 67.19 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.926 0.713 . . . . 1.51 112.926 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -83.55 -36.06 24.29 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 117.809 0.277 . . . . 0.65 110.997 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -74.46 -30.4 61.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 122.568 0.347 . . . . 0.95 110.976 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -68.41 -29.8 68.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.116 0.566 . . . . 0.85 111.234 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.2 m -59.31 -56.76 17.99 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 122.87 0.468 . . . . 0.56 111.052 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.468 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -68.69 -27.78 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 O-C-N 123.08 0.237 . . . . 0.53 111.429 178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.468 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.7 tm-20 -68.4 -39.24 81.74 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.646 0.379 . . . . 1.0 111.413 178.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -60.06 -37.73 80.73 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.598 0.359 . . . . 0.88 111.203 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 51.4 t -75.21 -31.39 24.36 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 C-N-CA 122.532 0.333 . . . . 0.56 110.235 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.402 ' O ' HG12 ' B' ' 17' ' ' VAL . 76.4 t -84.29 -1.14 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.417 0 C-N-CA 123.275 0.63 . . . . 0.97 112.097 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.2 p -119.34 -40.13 2.83 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 112.452 0.538 . . . . 0.67 112.452 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.1 m -72.43 -52.1 17.36 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.431 0.53 . . . . 0.69 112.431 -178.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -81.97 -27.29 33.29 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 112.808 0.669 . . . . 1.02 112.808 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -64.5 -22.35 66.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 112.27 0.471 . . . . 3.08 112.27 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.3 m -64.63 -29.36 70.36 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 122.645 0.378 . . . . 1.37 110.414 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -95.95 -32.67 12.5 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.286 0.634 . . . . 1.54 111.358 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -23.74 63.82 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 113.037 0.754 . . . . 0.85 113.037 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -66.95 -25.72 66.48 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 113.076 0.769 . . . . 1.73 113.076 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -48.71 -41.94 33.44 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.363 0.665 . . . . 1.68 112.436 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -91.22 177.28 6.3 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.721 0.408 . . . . 1.45 110.585 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -55.5 150.25 21.78 Favored Glycine 0 C--N 1.355 1.628 0 N-CA-C 114.488 0.555 . . . . 0.86 114.488 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? 61.77 126.41 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.062 0.945 . . . . 2.62 112.217 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -80.16 -26.55 39.28 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.579 0.214 . . . . 1.11 111.579 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -96.94 41.37 1.11 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.535 0.334 . . . . 1.36 110.457 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 78.5 p -146.94 139.32 24.79 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 122.701 0.401 . . . . 1.13 111.356 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.39 131.08 44.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 108.812 -0.81 . . . . 0.79 108.812 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 45.1 t -62.9 152.95 34.95 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 112.444 0.535 . . . . 0.69 112.444 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -74.64 -22.6 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.196 0 N-CA-C 112.753 0.649 . . . . 0.71 112.753 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -98.39 -30.65 12.44 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.333 0.494 . . . . 0.83 112.333 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -78.26 -32.36 49.59 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 112.857 0.688 . . . . 1.61 112.857 -178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -67.44 -37.11 82.49 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.189 0.45 . . . . 0.66 111.548 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -66.54 -35.38 80.1 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.483 0.313 . . . . 0.81 111.185 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -72.26 -33.99 67.9 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.533 0.333 . . . . 0.69 111.054 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 21.1 tp -62.47 -35.18 78.5 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.759 0.423 . . . . 0.68 110.676 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 66.6 t -74.76 -32.78 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 122.646 0.378 . . . . 0.48 111.625 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -95.46 33.59 1.58 Allowed 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 122.443 0.297 . . . . 0.83 111.748 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -162.13 -53.85 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 112.23 0.456 . . . . 0.98 112.23 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -107.86 -17.92 13.94 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.591 0.96 . . . . 0.73 113.591 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tp -127.76 39.43 0.49 Allowed Pre-proline 0 CA--C 1.567 1.632 0 N-CA-C 112.58 0.585 . . . . 0.62 112.58 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -80.21 -34.06 0.92 Allowed 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.187 1.925 . . . . 0.48 114.696 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -72.95 -34.82 66.76 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 117.853 0.297 . . . . 0.81 111.773 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.9 tp -69.85 -50.8 39.07 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.451 0.3 . . . . 0.88 110.435 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.0 mt -99.17 101.28 12.57 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.528 -0.916 . . . . 0.7 108.528 177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.54 -30.16 53.06 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 113.706 1.002 . . . . 1.23 113.706 -178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -100.78 91.04 4.44 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 120.525 0.203 . . . . 1.94 110.54 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 29.6 m -78.18 -38.2 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.377 -0.374 . . . . 0.6 110.426 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.59 -45.11 8.08 Favored Glycine 0 C--N 1.353 1.508 0 CA-C-O 120.033 -0.315 . . . . 0.67 112.442 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 44.3 t -83.11 79.21 9.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.042 0.449 . . . . 0.92 110.436 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.35 13.15 13.56 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.628 -0.714 . . . . 1.24 110.927 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.37 -29.41 37.89 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 117.795 0.27 . . . . 0.73 111.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -61.15 -38.78 87.66 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.853 0.461 . . . . 1.1 111.028 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -88.69 -34.03 17.35 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 119.191 -0.433 . . . . 1.47 111.531 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 60.9 ttp -56.58 -42.17 78.21 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 112.105 0.409 . . . . 0.81 112.105 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -69.36 -35.27 75.7 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 122.023 0.129 . . . . 2.39 110.75 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 48.7 m -71.08 -31.1 67.4 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.771 0.428 . . . . 0.63 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.654 HD21 ' HB2' ' B' ' 79' ' ' LEU . 45.2 mt -74.03 -57.15 4.15 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.75 0.42 . . . . 0.69 110.735 178.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.56 68.22 7.82 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-O 121.106 0.479 . . . . 1.32 110.436 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.6 p -81.33 -32.77 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 115.847 -0.615 . . . . 0.72 110.864 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -69.83 -36.1 75.31 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 122.824 0.449 . . . . 1.38 111.12 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 67.08 98.89 0.05 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.608 0.763 . . . . 2.02 111.394 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.93 -65.88 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 116.27 -0.423 . . . . 1.3 110.886 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -178.96 -55.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.579 0.752 . . . . 1.35 110.103 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -106.51 165.62 11.15 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.003 0.521 . . . . 2.4 110.119 178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.09 100.71 11.33 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 122.676 0.39 . . . . 1.13 110.762 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -67.02 155.2 39.28 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 109.817 -0.438 . . . . 1.81 109.817 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -59.15 -29.31 67.33 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 112.246 0.461 . . . . 1.23 112.246 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -69.6 -23.01 63.46 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 122.552 0.341 . . . . 0.99 110.985 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -106.89 -8.44 16.68 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.727 0.811 . . . . 0.93 111.579 178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.599 ' HA ' HD22 ' B' ' 63' ' ' LEU . 43.5 t80 -97.84 -12.07 22.56 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 112.725 0.639 . . . . 0.71 112.725 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -17.56 14.18 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.956 1.095 . . . . 1.54 113.956 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.548 ' HB2' HD23 ' B' ' 63' ' ' LEU . 17.8 mmm-85 -67.74 -32.31 72.84 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.165 0.439 . . . . 2.15 111.513 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.654 ' HB2' HD21 ' B' ' 63' ' ' LEU . 11.4 tp -84.98 -35.74 21.8 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 109.699 -0.482 . . . . 0.49 109.699 178.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -56.6 -35.68 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 N-CA-C 109.502 -0.555 . . . . 0.56 109.502 177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.57 -36.51 58.69 Favored Glycine 0 C--N 1.358 1.784 0 N-CA-C 111.461 -0.656 . . . . 0.42 111.461 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.43 -30.07 66.83 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.163 0.585 . . . . 0.91 110.917 178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.1 -58.67 7.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.081 0.552 . . . . 0.69 110.786 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.35 -23.38 61.9 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 112.734 0.642 . . . . 0.55 112.734 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.79 -29.84 45.15 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 118.024 0.374 . . . . 1.1 110.884 178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -93.91 29.71 2.03 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.132 0.419 . . . . 1.68 112.132 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -104.85 -37.87 4.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 N-CA-C 109.264 -0.643 . . . . 0.63 109.264 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -38.73 6.02 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 122.758 0.423 . . . . 1.64 111.478 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.25 52.14 1.16 Allowed 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.945 0.72 . . . . 1.65 112.945 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -36.05 80.99 Favored 'General case' 0 N--CA 1.484 1.269 0 O-C-N 122.028 -0.42 . . . . 2.03 111.081 178.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -145.58 63.59 1.26 Allowed 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 108.866 -0.79 . . . . 1.36 108.866 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.63 88.23 0.35 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 115.832 -0.622 . . . . 1.72 112.672 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 23.3 tp -166.51 -56.12 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.355 -0.839 . . . . 1.27 110.15 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -105.79 -34.09 7.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.04 0.536 . . . . 1.61 111.115 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 7.9 pt -109.22 94.96 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 122.963 0.505 . . . . 1.04 110.488 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -110.35 16.12 21.84 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.909 0.707 . . . . 2.42 112.909 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -154.2 117.99 4.68 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.089 0.404 . . . . 1.86 111.811 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 tttp . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.217 -0.897 . . . . 1.85 110.421 179.045 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.501 2.105 0 N-CA-C 112.178 0.436 . . . . 2.71 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.06 158.84 15.55 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 122.939 0.495 . . . . 1.02 110.97 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.21 150.08 24.64 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 112.172 0.434 . . . . 0.7 112.172 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -144.37 145.25 28.41 Favored Pre-proline 0 CA--C 1.56 1.356 0 C-N-CA 122.963 0.505 . . . . 1.02 111.15 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -69.07 143.15 53.15 Favored 'Trans proline' 0 C--N 1.384 2.41 0 C-N-CA 122.792 2.328 . . . . 0.74 113.284 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.1 mt -142.17 -47.88 0.35 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 112.507 0.558 . . . . 1.19 112.507 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -142.93 168.46 19.65 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.881 0.473 . . . . 0.98 110.397 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -52.66 -47.02 67.42 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 112.75 0.648 . . . . 1.42 112.75 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD13 HD21 ' B' ' 41' ' ' LEU . 73.6 mt -77.53 -40.46 42.56 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 111.754 0.279 . . . . 0.65 111.754 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -63.58 -35.56 80.89 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 117.538 0.154 . . . . 1.03 111.067 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -72.6 -31.07 64.91 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 123.266 0.354 . . . . 0.81 111.317 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.9 m -60.31 -53.0 62.84 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.344 0.258 . . . . 0.63 111.593 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.24 -14.36 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 N-CA-C 112.206 0.447 . . . . 0.56 112.206 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.3 -34.25 20.39 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.611 0.764 . . . . 1.0 110.954 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -59.99 -32.38 70.79 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 122.606 0.362 . . . . 0.77 111.177 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.97 -27.09 31.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 110.189 -0.3 . . . . 0.5 110.189 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.3 t -81.72 -65.47 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 C-N-CA 123.143 0.577 . . . . 0.95 110.556 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.495 HG22 HAEB ' A' ' 99' ' ' ANW . 69.0 p -56.99 -27.48 61.53 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 114.962 1.467 . . . . 0.62 114.962 -177.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -77.77 -49.02 15.2 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.814 0.672 . . . . 0.66 112.814 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -97.67 -7.22 31.41 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.694 1.368 . . . . 0.95 114.694 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.16 -18.56 62.49 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.445 1.02 . . . . 3.17 112.426 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -63.13 -33.99 76.65 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 117.836 0.289 . . . . 1.37 110.678 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -91.62 -38.65 12.33 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.785 0.434 . . . . 1.55 110.815 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.12 -34.4 68.32 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 113.049 0.759 . . . . 0.83 113.049 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -71.71 -16.38 62.23 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 113.34 0.866 . . . . 1.55 113.34 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.61 -56.01 27.73 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.454 0.538 . . . . 1.8 112.454 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -128.59 141.49 51.34 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 111.723 0.268 . . . . 1.59 111.723 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.74 67.19 1.83 Allowed Glycine 0 C--N 1.35 1.349 0 CA-C-O 119.803 -0.443 . . . . 0.92 113.74 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 64.31 171.08 0.18 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.568 0.747 . . . . 2.6 111.755 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -85.26 -49.73 7.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.886 0.475 . . . . 1.22 111.226 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -76.69 -25.5 53.73 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 112.228 0.455 . . . . 1.43 112.228 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.2 145.44 25.01 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.656 0.613 . . . . 1.09 112.656 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -93.46 159.13 15.38 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.45 0.7 . . . . 0.76 109.744 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -86.28 157.72 19.86 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 116.701 -0.227 . . . . 0.68 110.745 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.09 -30.92 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 N-CA-C 113.156 0.798 . . . . 0.64 113.156 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.39 -29.32 19.16 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 111.993 0.368 . . . . 0.82 111.993 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -65.94 -40.78 91.69 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.379 0.881 . . . . 1.54 113.379 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -67.31 -30.8 70.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 118.083 0.402 . . . . 0.65 111.37 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.78 -39.3 84.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 110.319 -0.252 . . . . 0.87 110.319 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.95 -29.6 66.77 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.628 0.371 . . . . 0.73 110.774 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.562 HD11 HD13 ' B' ' 9' ' ' LEU . 56.3 tp -66.15 -39.41 89.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.364 0.666 . . . . 0.65 111.522 179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.71 -28.79 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-O 119.399 -0.334 . . . . 0.45 111.861 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -101.13 35.8 2.14 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 118.085 0.402 . . . . 0.8 111.874 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -156.83 -58.65 0.09 Allowed 'General case' 0 N--CA 1.477 0.905 0 O-C-N 122.125 -0.36 . . . . 1.1 111.69 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -110.28 -9.15 14.66 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.967 0.729 . . . . 0.84 112.967 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.42 ' N ' ' CD ' ' A' ' 47' ' ' PRO . 0.9 OUTLIER -130.69 34.88 0.28 Allowed Pre-proline 0 CA--C 1.569 1.701 0 N-CA-C 112.588 0.588 . . . . 0.67 112.588 179.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 46' ' ' LEU . 94.7 Cg_endo -76.98 -36.32 1.49 Allowed 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 122.216 1.944 . . . . 0.52 114.662 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -73.05 -29.99 63.38 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 111.857 0.317 . . . . 0.85 111.857 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -70.48 -52.91 18.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 122.515 0.326 . . . . 0.87 111.058 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.5 mt -100.78 107.25 18.77 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.273 0.358 . . . . 0.73 110.34 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -55.78 -33.72 64.63 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.06 0.544 . . . . 1.32 112.393 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.68 79.83 8.75 Favored 'General case' 0 C--N 1.349 0.584 0 N-CA-C 109.748 -0.464 . . . . 2.08 109.748 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 m -73.37 -40.88 57.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.328 -0.396 . . . . 0.71 111.424 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.66 -25.07 11.09 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-O 119.634 -0.537 . . . . 0.83 113.273 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 43.0 t -90.01 67.57 7.08 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 117.597 0.699 . . . . 0.85 111.053 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.03 -7.11 33.7 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.672 -0.695 . . . . 1.22 111.239 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.88 -30.66 70.29 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 112.994 0.739 . . . . 0.77 112.994 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -66.55 -40.84 89.27 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.377 0.271 . . . . 1.09 110.68 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -85.54 -27.71 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.268 0.627 . . . . 1.55 111.47 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.4 ttp -60.25 -41.28 92.88 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.118 0.567 . . . . 0.84 112.292 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -65.66 -33.99 77.18 Favored 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 117.813 0.279 . . . . 2.56 111.062 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -79.13 -32.64 44.5 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.61 110.563 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD21 ' HB2' ' A' ' 79' ' ' LEU . 28.0 mt -69.89 -54.71 12.2 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.62 0.768 . . . . 0.68 111.151 179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -91.8 57.14 3.12 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 122.912 0.485 . . . . 1.39 110.505 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 p -83.77 -27.02 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 116.04 -0.527 . . . . 0.73 110.956 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -68.57 -32.17 71.89 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 122.913 0.485 . . . . 1.44 110.13 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 65.37 59.71 0.79 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 124.308 1.043 . . . . 1.96 112.163 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -128.37 -0.07 5.67 Favored 'General case' 0 CA--C 1.556 1.197 0 CA-C-N 115.611 -0.722 . . . . 1.41 111.802 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 t 80.03 -31.1 0.13 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 124.28 1.032 . . . . 1.31 112.843 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -95.31 111.46 23.32 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 122.739 0.415 . . . . 2.42 110.215 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mp -79.49 93.82 5.48 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 120.565 0.222 . . . . 0.95 111.02 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -70.93 167.54 18.86 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 109.645 -0.502 . . . . 1.89 109.645 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.73 -30.06 70.52 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-N 118.649 0.658 . . . . 1.2 111.566 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -68.59 -36.41 78.68 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 122.738 0.415 . . . . 0.98 110.108 177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -87.92 -24.91 23.47 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.823 0.449 . . . . 1.03 111.034 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -83.74 -12.05 56.31 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 123.906 0.882 . . . . 0.69 110.77 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -27.25 64.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.12 0.968 . . . . 1.62 112.16 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 26.9 mmm-85 -62.86 -30.88 71.85 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.152 0.181 . . . . 1.96 111.255 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.48 ' HB2' HD21 ' A' ' 63' ' ' LEU . 17.0 tp -84.66 -35.26 22.74 Favored 'General case' 0 C--N 1.358 0.961 0 CA-C-O 119.358 -0.353 . . . . 0.53 110.762 179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.7 mm -56.96 -40.19 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 122.474 0.31 . . . . 0.61 110.394 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.41 -38.34 86.83 Favored Glycine 0 C--N 1.353 1.497 0 N-CA-C 111.581 -0.607 . . . . 0.47 111.581 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.16 -27.44 65.53 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 122.753 0.421 . . . . 0.86 111.51 178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.3 mp -59.79 -59.23 5.76 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 122.819 0.448 . . . . 0.67 110.803 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -71.83 -28.61 63.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 122.627 0.371 . . . . 0.55 111.483 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.53 -26.45 64.52 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.21 0.204 . . . . 0.96 110.75 177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.5 34.9 3.4 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 122.75 0.42 . . . . 1.65 111.847 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.434 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -105.51 -41.47 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 109.815 -0.439 . . . . 0.66 109.815 177.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.75 -35.05 5.29 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.91 0.484 . . . . 1.74 111.985 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -118.25 39.49 3.41 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 111.914 0.339 . . . . 1.52 111.914 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -61.1 -41.11 96.07 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 120.493 0.187 . . . . 1.87 110.926 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -136.28 57.37 1.78 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 108.933 -0.765 . . . . 1.53 108.933 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -70.75 78.9 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-O 121.492 0.663 . . . . 1.81 111.899 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -169.95 -49.06 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.243 -0.89 . . . . 1.24 109.801 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tptp -91.77 -43.03 9.78 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.071 0.548 . . . . 1.73 110.266 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 30.7 pt -134.91 134.63 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.231 0.612 . . . . 1.06 110.3 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -150.04 44.34 0.9 Allowed 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 112.365 0.506 . . . . 2.26 112.365 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -162.02 107.45 1.26 Allowed 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 116.402 -0.363 . . . . 1.74 110.636 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.4 tttp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.241 0.543 . . . . 1.71 110.499 179.727 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.552 1.053 0 N-CA-C 112.127 0.417 . . . . 1.75 112.127 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.01 130.83 50.77 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.995 0.518 . . . . 0.78 110.672 179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.408 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -87.95 115.29 25.31 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.054 0.221 . . . . 0.69 111.414 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -98.62 144.28 27.85 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 122.899 0.48 . . . . 1.1 111.003 -179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.25 138.29 60.43 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.514 2.143 . . . . 0.83 113.514 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 41.8 mt -134.16 -136.58 0.17 Allowed 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.223 0.609 . . . . 1.24 109.967 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -66.77 169.69 7.6 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-N 119.141 0.882 . . . . 1.06 111.079 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -51.47 -49.74 61.2 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 113.3 0.852 . . . . 1.51 113.3 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.562 HD13 HD11 ' A' ' 41' ' ' LEU . 79.1 mt -74.84 -34.54 62.32 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.936 0.347 . . . . 0.65 111.936 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -71.08 -35.53 71.9 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.425 0.29 . . . . 0.95 110.639 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -76.7 -24.7 53.14 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.371 0.668 . . . . 0.85 111.895 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -60.15 -54.47 45.49 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 117.845 0.293 . . . . 0.56 111.359 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -70.39 -27.82 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 122.324 0.249 . . . . 0.53 111.415 178.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.408 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 2.2 tm-20 -68.17 -38.03 81.63 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 122.911 0.484 . . . . 1.0 111.029 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 36.6 m -59.49 -31.98 69.85 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.731 0.413 . . . . 0.88 111.54 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.98 -36.56 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.72 -0.474 . . . . 0.56 109.72 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -75.84 -39.83 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 122.739 0.416 . . . . 0.97 111.086 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -71.66 -35.09 70.22 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.062 0.764 . . . . 0.67 113.062 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -76.14 -42.65 46.12 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 119.498 -0.287 . . . . 0.69 111.346 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.86 60.91 0.79 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 121.048 0.452 . . . . 1.02 110.919 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -119.81 -40.96 2.7 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 115.942 -0.572 . . . . 3.08 109.914 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 10.6 m -64.32 -33.3 75.52 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.685 0.794 . . . . 1.37 111.605 178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -85.67 -35.38 20.94 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.914 0.486 . . . . 1.54 110.912 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.15 67.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.431 0.9 . . . . 0.85 113.431 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -75.56 -17.04 60.18 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.363 0.875 . . . . 1.73 113.363 -179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -61.26 -42.89 99.41 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 112.614 0.598 . . . . 1.68 112.614 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -100.62 -176.37 3.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.376 . . . . 1.45 110.68 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.92 136.2 10.24 Favored Glycine 0 C--N 1.361 1.928 0 N-CA-C 114.171 0.428 . . . . 0.86 114.171 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 65.24 128.58 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.164 0.986 . . . . 2.62 112.017 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -63.3 -49.4 74.14 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.843 0.457 . . . . 1.11 112.214 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.63 56.1 2.91 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.523 0.329 . . . . 1.36 111.019 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -152.69 135.94 15.78 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.008 0.373 . . . . 1.13 112.008 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.68 146.49 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 115.716 -0.674 . . . . 0.79 110.301 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.2 t -89.72 161.47 16.05 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 120.453 0.168 . . . . 0.69 111.055 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.43 -30.82 49.95 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 112.593 0.59 . . . . 0.71 112.593 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -95.3 -34.11 12.3 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.666 0.386 . . . . 0.83 111.968 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.52 -34.68 72.58 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 112.851 0.686 . . . . 1.61 112.851 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -37.26 68.36 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 117.694 0.225 . . . . 0.66 111.213 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -65.4 -34.56 78.59 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.495 0.318 . . . . 0.81 111.637 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.23 -31.18 71.85 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.586 0.354 . . . . 0.69 111.369 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.431 HD21 HD13 ' A' ' 9' ' ' LEU . 6.3 tp -68.47 -35.9 78.22 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 122.763 0.425 . . . . 0.68 110.76 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -71.06 -30.8 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.212 0.605 . . . . 0.48 111.722 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.19 20.65 13.13 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 112.535 0.569 . . . . 0.83 112.535 -179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -146.48 -64.03 0.3 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.343 0.497 . . . . 0.98 112.343 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -99.31 -12.52 20.26 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.417 0.895 . . . . 0.73 113.417 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -132.53 48.21 3.35 Favored Pre-proline 0 CA--C 1.564 1.518 0 CA-C-N 118.231 0.469 . . . . 0.62 111.922 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -83.26 -34.89 0.29 Allowed 'Trans proline' 0 C--N 1.384 2.445 0 C-N-CA 122.479 2.12 . . . . 0.48 114.713 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -83.56 -8.07 59.4 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.005 0.743 . . . . 0.81 113.005 -178.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.0 tp -82.79 -54.99 4.69 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.257 0.48 . . . . 0.88 110.106 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 47.2 mt -94.44 108.71 20.63 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.283 -1.006 . . . . 0.7 108.283 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.64 -30.65 61.33 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 113.835 1.05 . . . . 1.23 113.835 -178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -104.75 83.01 1.96 Allowed 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 110.098 -0.334 . . . . 1.94 110.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.6 m -77.65 -25.41 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 N-CA-C 112.413 0.523 . . . . 0.6 112.413 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.27 -60.48 2.52 Favored Glycine 0 C--N 1.351 1.381 0 C-N-CA 121.454 -0.403 . . . . 0.67 112.656 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -82.81 80.68 8.82 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.89 0.376 . . . . 0.92 111.245 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.77 -3.58 51.86 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 116.345 -0.389 . . . . 1.24 111.696 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.16 -34.45 66.19 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.566 0.58 . . . . 0.73 112.566 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.19 -36.33 82.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.057 0.143 . . . . 1.1 111.04 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -107.74 40.75 1.65 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.64 0.376 . . . . 1.47 110.293 178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 56.8 ttp -131.12 -46.81 1.01 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.238 0.615 . . . . 0.81 110.531 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -67.84 -38.21 82.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.511 0.324 . . . . 2.39 110.78 178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.9 m -67.44 -28.6 68.02 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 122.517 0.327 . . . . 0.63 111.875 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.8 mt -73.39 -56.88 4.47 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.846 -0.427 . . . . 0.69 109.846 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -90.56 74.42 6.77 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.519 -0.549 . . . . 1.32 109.519 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.4 p -83.81 -18.75 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.204 0 CA-C-N 116.016 -0.538 . . . . 0.72 111.83 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -77.96 -22.26 49.73 Favored 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 112.18 0.437 . . . . 1.38 112.18 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 61.47 63.65 1.16 Allowed 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.696 0.799 . . . . 2.02 111.598 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -131.6 5.74 4.35 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-N 115.311 -0.859 . . . . 1.3 111.462 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t 64.75 29.47 12.74 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 123.535 0.734 . . . . 1.35 112.287 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -140.27 130.65 25.29 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.672 0.389 . . . . 2.4 110.047 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 mp -112.42 79.72 1.26 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.97 0.414 . . . . 1.13 111.032 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -70.25 174.39 5.63 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.61 -0.885 . . . . 1.81 108.61 178.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.4 -22.99 65.49 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.418 1.008 . . . . 1.23 111.475 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -74.12 -37.02 64.22 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 123.027 0.531 . . . . 0.99 110.141 177.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -82.33 -48.57 11.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.239 0.616 . . . . 0.93 109.878 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -60.18 -19.71 55.25 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 124.082 0.953 . . . . 0.71 111.229 177.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -36.37 -48.96 0.68 Allowed 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 126.013 1.725 . . . . 1.54 114.309 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 38.7 mmm-85 -62.11 -33.23 74.05 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 112.738 0.644 . . . . 2.15 112.738 -178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -73.99 -35.33 64.44 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.101 0.41 . . . . 0.49 110.397 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.38 -40.69 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 123.074 0.55 . . . . 0.56 110.576 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.33 -36.24 92.47 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 121.305 -0.474 . . . . 0.42 112.028 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -76.28 -24.22 54.42 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 119.243 -0.408 . . . . 0.91 111.939 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.1 mp -63.25 -47.96 80.22 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.957 0.344 . . . . 0.69 110.537 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.57 -15.29 52.81 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 112.556 0.576 . . . . 0.55 112.556 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -83.8 -43.31 15.54 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.684 0.394 . . . . 1.1 111.717 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -77.69 -23.23 49.58 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 113.03 0.752 . . . . 1.68 113.03 -178.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.529 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -64.42 -36.46 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.148 0 CA-C-N 118.271 0.487 . . . . 0.63 111.542 179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 23.3 ptt-85 -93.08 -40.2 10.65 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 112.356 0.502 . . . . 1.64 112.356 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.69 71.57 1.45 Allowed 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 112.872 0.693 . . . . 1.65 112.872 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 ptmm? -73.5 -42.07 62.3 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.469 -0.332 . . . . 2.03 110.816 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -135.04 73.96 1.5 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.002 -0.74 . . . . 1.36 109.002 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.92 -31.2 70.73 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 112.735 0.643 . . . . 1.72 112.735 -179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.9 mp -74.99 -41.67 59.06 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.438 0.295 . . . . 1.27 111.678 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -81.94 -64.16 1.24 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.941 0.348 . . . . 1.61 111.941 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.8 pt -109.86 149.1 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 N-CA-C 111.933 0.346 . . . . 1.04 111.933 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -135.93 12.56 3.37 Favored 'General case' 0 CA--C 1.558 1.266 0 N-CA-C 113.046 0.758 . . . . 2.42 113.046 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -153.46 102.5 2.58 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 118.418 0.553 . . . . 1.86 111.445 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.262 -0.875 . . . . 1.85 110.252 179.459 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.495 HAEB HG22 ' A' ' 18' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.455 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptm . . . . . 0 N--CA 1.499 2.025 0 N-CA-C 113.194 0.813 . . . . 2.71 113.194 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.17 143.24 47.33 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.101 0.41 . . . . 1.02 111.463 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.98 128.9 39.01 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.198 -0.455 . . . . 0.7 111.37 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -123.44 135.92 26.6 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 123.026 0.531 . . . . 1.02 111.194 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.06 136.42 76.52 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 122.623 2.215 . . . . 0.74 113.342 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -138.53 -155.39 0.59 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 123.244 0.618 . . . . 1.19 109.653 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.0 p -59.61 176.22 0.29 Allowed 'General case' 0 N--CA 1.493 1.677 0 CA-C-N 118.757 0.708 . . . . 0.98 111.957 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -57.02 -44.6 83.01 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 113.325 0.861 . . . . 1.42 113.325 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.75 -37.87 55.18 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 118.185 0.448 . . . . 0.65 111.035 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.43 -20.36 61.42 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 122.399 0.28 . . . . 1.03 111.622 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -87.73 -25.72 23.3 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 123.034 0.533 . . . . 0.81 110.716 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -58.5 -56.47 21.77 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.451 0.301 . . . . 0.63 110.97 179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 14' ' ' GLU . 2.6 pp -70.29 -25.49 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 O-C-N 122.915 0.134 . . . . 0.56 111.1 178.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 13' ' ' ILE . 10.4 tm-20 -70.94 -36.78 72.75 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.373 0.669 . . . . 1.0 111.056 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.8 m -63.29 -29.52 70.83 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 122.436 0.294 . . . . 0.77 110.771 178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.0 t -72.6 -30.26 33.32 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 C-N-CA 123.03 0.532 . . . . 0.5 110.693 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 t -101.38 38.37 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.503 0 C-N-CA 122.931 0.492 . . . . 0.95 110.614 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.3 p -143.23 -52.11 0.36 Allowed 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.874 0.47 . . . . 0.62 111.087 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.5 m -67.06 -41.51 86.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.435 0.294 . . . . 0.66 111.301 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -109.13 37.68 2.5 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 122.43 0.292 . . . . 0.95 111.306 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -95.13 -35.03 12.05 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 110.038 -0.356 . . . . 3.17 110.038 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 m -71.63 -30.17 65.47 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.06 0.544 . . . . 1.37 111.251 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.11 -30.79 22.27 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.837 0.455 . . . . 1.55 111.993 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.89 -14.98 61.6 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 113.261 0.837 . . . . 0.83 113.261 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -93.49 11.53 28.22 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.76 1.022 . . . . 1.55 113.76 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -73.55 -40.86 63.64 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 118.045 0.384 . . . . 1.8 111.084 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -97.28 -171.64 2.25 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 122.988 0.515 . . . . 1.59 110.258 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -53.0 148.51 13.03 Favored Glycine 0 C--N 1.357 1.739 0 N-CA-C 114.04 0.376 . . . . 0.92 114.04 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? 66.76 137.18 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 124.159 0.984 . . . . 2.6 112.159 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -77.38 -35.92 54.0 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.103 0.561 . . . . 1.22 111.765 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -107.58 55.02 0.65 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.002 0.43 . . . . 1.43 110.204 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.8 t -147.95 139.96 24.1 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.992 -0.549 . . . . 1.09 111.059 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.9 mp -98.68 140.6 32.66 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 109.81 -0.441 . . . . 0.76 109.81 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -80.22 152.45 29.11 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.164 0.186 . . . . 0.68 111.34 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.86 -32.37 53.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.075 0 N-CA-C 112.327 0.491 . . . . 0.64 112.327 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -90.06 -35.11 15.66 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.556 0.342 . . . . 0.82 111.802 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -70.58 -40.91 73.01 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 112.117 0.414 . . . . 1.54 112.117 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.74 -32.24 69.34 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 117.821 0.282 . . . . 0.65 110.567 178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -60.31 -34.24 73.52 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 122.996 0.518 . . . . 0.87 111.229 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.53 -29.04 37.2 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 122.88 0.472 . . . . 0.73 111.526 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.2 tp -68.75 -33.77 74.47 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 122.533 0.333 . . . . 0.65 111.746 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.9 -20.32 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 C-N-CA 122.608 0.363 . . . . 0.45 111.085 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.4 m -91.52 -28.76 17.38 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 112.625 0.602 . . . . 0.8 112.625 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -105.15 -53.76 2.6 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.487 0.921 . . . . 1.1 113.487 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -94.68 -12.45 27.28 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.664 0.987 . . . . 0.84 113.664 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.57 42.62 0.92 Allowed Pre-proline 0 CA--C 1.566 1.574 0 CA-C-N 118.443 0.565 . . . . 0.67 112.239 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -78.74 -38.65 0.46 Allowed 'Trans proline' 0 C--N 1.381 2.259 0 C-N-CA 122.066 1.844 . . . . 0.52 114.313 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -80.85 -16.2 54.33 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.627 0.603 . . . . 0.85 112.627 -178.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 42.5 tp -78.81 -67.21 0.77 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 109.961 -0.385 . . . . 0.87 109.961 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -90.77 106.33 18.44 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 108.212 -1.033 . . . . 0.73 108.212 177.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -22.75 61.28 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 113.125 0.787 . . . . 1.32 113.125 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -82.53 70.61 9.53 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 120.964 0.411 . . . . 2.08 110.267 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.9 -36.41 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 CA-C-N 116.168 -0.469 . . . . 0.71 112.092 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -83.23 -54.7 3.09 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.945 -0.364 . . . . 0.83 112.766 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.7 t -81.48 80.06 7.95 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 109.74 -0.467 . . . . 0.85 109.74 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -105.15 67.46 0.78 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.721 -0.672 . . . . 1.22 109.383 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.99 -42.28 1.25 Allowed 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.305 -0.861 . . . . 0.77 111.428 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -63.39 -36.31 83.29 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 117.727 0.24 . . . . 1.09 110.959 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -101.5 30.42 4.28 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 122.502 0.321 . . . . 1.55 111.091 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 30.6 ttp -120.8 -48.04 2.28 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 109.459 -0.571 . . . . 0.84 109.459 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -76.81 -33.0 58.0 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.845 0.458 . . . . 2.56 110.792 178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.9 m -63.11 -28.99 70.45 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.524 0.33 . . . . 0.61 111.071 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.37 -57.62 3.68 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 109.475 -0.565 . . . . 0.68 109.475 178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -88.58 76.76 8.1 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 121.208 0.528 . . . . 1.39 110.547 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.12 -10.12 9.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.26 0 CA-C-N 115.53 -0.759 . . . . 0.73 112.056 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -88.2 -19.13 27.3 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.373 0.669 . . . . 1.44 111.832 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 63.58 76.08 0.37 Allowed 'General case' 0 C--N 1.364 1.196 0 C-N-CA 123.818 0.847 . . . . 1.96 111.771 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.57 22.63 1.99 Allowed 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.822 -0.626 . . . . 1.41 111.84 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.3 t 66.62 -61.14 0.32 Allowed 'General case' 0 C--N 1.367 1.361 0 C-N-CA 124.52 1.128 . . . . 1.31 113.185 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.83 144.82 36.72 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 118.112 0.415 . . . . 2.42 111.076 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 mp -102.25 92.24 4.64 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 123.322 0.389 . . . . 0.95 110.151 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -62.77 162.18 11.32 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.281 -0.637 . . . . 1.89 109.281 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -24.06 48.47 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-N 119.127 0.876 . . . . 1.2 111.887 178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -71.06 -31.46 67.89 Favored 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 109.939 -0.393 . . . . 0.98 109.939 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -84.55 -45.81 12.21 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 108.948 -0.76 . . . . 1.03 108.948 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -61.73 -20.63 63.72 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 123.678 0.791 . . . . 0.69 111.143 177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 16.5 t90 -43.66 -44.63 6.51 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 125.775 1.63 . . . . 1.62 112.68 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -62.81 -31.15 72.07 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 113.003 0.742 . . . . 1.96 113.003 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.7 -33.12 41.26 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 119.489 -0.291 . . . . 0.53 111.336 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.87 -33.82 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 N-CA-C 110.2 -0.296 . . . . 0.61 110.2 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.94 -41.5 95.33 Favored Glycine 0 C--N 1.355 1.584 0 N-CA-C 111.952 -0.459 . . . . 0.47 111.952 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.16 -26.77 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 122.873 0.469 . . . . 0.86 111.409 178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.5 -54.27 48.55 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.602 0.361 . . . . 0.67 111.056 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 87' ' ' ILE . . . -80.64 -21.69 41.21 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.214 0.82 . . . . 0.55 113.214 -178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -80.54 -36.6 32.85 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.047 0.385 . . . . 0.96 111.012 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -95.55 33.45 1.62 Allowed 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 112.049 0.388 . . . . 1.65 112.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.462 HG22 ' O ' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -102.66 -43.33 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 122.531 0.333 . . . . 0.66 110.238 178.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -37.68 7.69 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 112.225 0.454 . . . . 1.74 112.225 -179.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -124.56 58.0 1.23 Allowed 'General case' 0 C--N 1.358 0.97 0 N-CA-C 111.958 0.355 . . . . 1.52 111.958 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -33.69 76.5 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 110.224 -0.287 . . . . 1.87 110.224 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -142.53 77.32 1.57 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.043 -1.095 . . . . 1.53 108.043 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.5 -33.73 70.14 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 113.224 0.824 . . . . 1.81 113.224 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -73.24 -26.95 61.32 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.665 0.616 . . . . 1.24 112.665 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -102.7 -57.62 2.02 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.412 0.285 . . . . 1.73 111.426 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.3 pt -113.71 124.92 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 123.0 0.52 . . . . 1.06 111.605 -179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -143.08 42.41 1.54 Allowed 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 116.297 -0.41 . . . . 2.26 111.334 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -158.16 89.0 0.97 Allowed 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.813 0.339 . . . . 1.74 111.537 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 43.4 mttp . . . . . 0 N--CA 1.475 0.803 0 CA-C-N 116.182 -0.463 . . . . 1.71 110.657 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.1 ptt? . . . . . 0 CA--C 1.546 0.804 0 N-CA-C 112.157 0.429 . . . . 1.75 112.157 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.31 141.83 35.24 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 122.69 0.396 . . . . 0.78 111.487 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.451 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -85.39 121.61 28.35 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 116.384 -0.371 . . . . 0.69 110.763 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -124.85 143.71 44.61 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 122.824 0.45 . . . . 1.1 111.265 -178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.88 147.92 49.11 Favored 'Trans proline' 0 C--N 1.384 2.421 0 C-N-CA 123.459 2.772 . . . . 0.83 114.385 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 mt -141.79 -60.46 0.47 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 122.564 0.346 . . . . 1.24 111.931 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.418 HG22 ' H ' ' B' ' 8' ' ' GLU . 1.9 m -142.69 173.43 11.54 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.137 0.575 . . . . 1.06 110.437 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.418 ' H ' HG22 ' B' ' 7' ' ' THR . 43.1 mt-10 -49.03 -53.97 17.88 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 113.83 1.048 . . . . 1.51 113.83 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -80.67 -33.74 35.29 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.35 0.5 . . . . 0.65 112.35 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.98 -26.62 64.17 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 117.833 0.288 . . . . 0.95 111.322 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.2 -32.02 30.06 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.186 0.594 . . . . 0.85 111.216 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.8 m -55.66 -60.44 3.44 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.61 0.364 . . . . 0.56 111.209 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.74 -26.85 41.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 111.939 0.348 . . . . 0.53 111.939 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.451 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 2.3 tm-20 -73.31 -36.18 66.2 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.098 0.559 . . . . 1.0 111.634 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 84.8 m -57.55 -31.64 66.3 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 122.724 0.41 . . . . 0.88 112.085 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 87.3 t -72.66 -28.1 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.216 0.206 . . . . 0.56 110.702 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 t -94.02 33.01 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.565 1.526 0 C-N-CA 122.744 0.417 . . . . 0.97 110.893 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.472 HG22 HACB ' B' ' 99' ' ' ANW . 40.3 p -148.45 -45.28 0.15 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.005 0.522 . . . . 0.67 112.164 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -64.11 -66.26 0.57 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.254 0.464 . . . . 0.69 112.254 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -90.49 -8.72 49.67 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 112.486 0.55 . . . . 1.02 112.486 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -75.94 -8.9 58.02 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.521 0.601 . . . . 3.08 112.513 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 m -70.73 -34.57 72.02 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 109.3 -0.63 . . . . 1.37 109.3 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -89.61 -30.92 17.82 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 123.514 0.726 . . . . 1.54 110.902 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.28 -28.42 69.18 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.14 0.793 . . . . 0.85 113.14 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -83.7 8.14 15.44 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.651 0.611 . . . . 1.73 112.651 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -78.8 -35.2 44.6 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.705 0.402 . . . . 1.68 110.782 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -96.9 -168.81 1.77 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 122.965 0.506 . . . . 1.45 110.254 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.75 135.45 25.04 Favored Glycine 0 C--N 1.36 1.878 0 N-CA-C 114.335 0.494 . . . . 0.86 114.335 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? 63.12 131.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.125 0.97 . . . . 2.62 112.173 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -71.48 -38.29 71.22 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.631 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -98.7 53.98 1.02 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.013 0.525 . . . . 1.36 109.908 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 37.5 t -159.54 142.04 13.74 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 116.235 -0.439 . . . . 1.13 112.129 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.32 153.34 18.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 122.892 0.477 . . . . 0.79 109.934 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 25.4 t -86.18 159.46 19.49 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.338 0.255 . . . . 0.69 110.605 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.77 -26.01 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 112.786 0.661 . . . . 0.71 112.786 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -95.13 -32.24 13.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 122.651 0.38 . . . . 0.83 111.49 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.06 -43.9 77.55 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 112.761 0.652 . . . . 1.61 112.761 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.28 -34.97 78.83 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 111.919 0.34 . . . . 0.66 111.919 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -70.74 -36.17 73.03 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-O 119.708 -0.187 . . . . 0.81 111.049 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.27 -34.74 75.22 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 122.393 0.277 . . . . 0.69 110.563 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.1 tp -63.8 -37.02 85.83 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 122.679 0.392 . . . . 0.68 110.85 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 91.5 t -77.11 -28.27 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.136 0 O-C-N 123.221 0.326 . . . . 0.48 111.767 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -102.99 23.52 12.15 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.643 0.609 . . . . 0.83 112.643 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -146.18 -56.35 0.28 Allowed 'General case' 0 N--CA 1.479 0.976 0 O-C-N 121.982 -0.449 . . . . 0.98 112.087 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -107.34 -8.58 16.29 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 113.177 0.806 . . . . 0.73 113.177 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 47.04 1.55 Allowed Pre-proline 0 CA--C 1.562 1.414 0 CA-C-N 118.409 0.55 . . . . 0.62 111.681 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.34 -36.25 0.7 Allowed 'Trans proline' 0 C--N 1.382 2.341 0 C-N-CA 122.665 2.243 . . . . 0.48 114.475 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -66.66 -40.22 88.53 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 112.244 0.461 . . . . 0.81 112.244 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -63.11 1.36 Allowed 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.261 0.351 . . . . 0.88 111.074 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.4 86.4 5.66 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 109.298 -0.631 . . . . 0.7 109.298 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -49.85 -38.55 35.62 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.978 0.733 . . . . 1.23 112.978 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.31 72.43 10.71 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 120.931 0.396 . . . . 1.94 110.74 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 30.5 m -69.05 -33.43 58.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 116.421 -0.354 . . . . 0.6 111.745 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.79 -44.52 19.7 Favored Glycine 0 C--N 1.352 1.468 0 N-CA-C 111.999 -0.44 . . . . 0.67 111.999 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -86.22 82.23 8.11 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 109.24 -0.652 . . . . 0.92 109.24 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.59 4.74 13.21 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 115.454 -0.793 . . . . 1.24 111.957 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.15 -31.17 64.09 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 112.373 0.508 . . . . 0.73 112.373 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.3 -41.51 93.59 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.235 0.214 . . . . 1.1 110.812 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.68 -38.38 25.95 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 119.469 -0.301 . . . . 1.47 110.459 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 57.6 ttp -52.88 -40.99 63.92 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 122.728 0.411 . . . . 0.81 111.631 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -71.23 -39.59 71.6 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.373 0.269 . . . . 2.39 111.124 178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 49.6 m -66.91 -35.84 80.91 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.51 0.324 . . . . 0.63 111.156 178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.613 HD21 ' HB2' ' B' ' 79' ' ' LEU . 15.8 mt -70.61 -57.03 5.16 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.769 0.428 . . . . 0.69 110.295 178.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -85.97 76.15 9.88 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 121.123 0.487 . . . . 1.32 109.967 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 p -94.92 -29.09 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 CA-C-N 115.566 -0.743 . . . . 0.72 111.831 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -82.47 -18.48 41.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 122.526 0.331 . . . . 1.38 111.843 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 17.6 mp0 62.57 70.95 0.54 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 123.905 0.882 . . . . 2.02 111.92 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -134.87 7.99 3.5 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-N 115.798 -0.637 . . . . 1.3 112.061 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 59.4 28.17 17.47 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 123.635 0.774 . . . . 1.35 112.153 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -143.73 134.5 25.18 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 122.88 0.472 . . . . 2.4 110.405 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mp -109.28 81.67 1.48 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.651 0.263 . . . . 1.13 111.628 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -70.31 161.23 30.78 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.214 -1.032 . . . . 1.81 108.214 177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -28.09 55.06 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 119.192 0.906 . . . . 1.23 112.503 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.2 -34.41 78.3 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 118.119 0.418 . . . . 0.99 110.109 176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -91.39 -34.95 14.66 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.424 0.69 . . . . 0.93 110.723 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.514 ' HA ' HD22 ' B' ' 63' ' ' LEU . 26.0 t80 -72.84 -16.21 61.6 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.721 0.809 . . . . 0.71 112.328 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -26.64 56.48 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.207 0.603 . . . . 1.54 111.688 178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' B' ' 63' ' ' LEU . 1.2 mmt-85 -61.29 -35.53 77.58 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 117.733 0.242 . . . . 2.15 111.208 178.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.613 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.5 tp -79.33 -31.77 43.17 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.663 0.385 . . . . 0.49 111.048 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 38.8 mm -61.25 -38.77 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 122.644 0.377 . . . . 0.56 110.711 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -65.77 -44.51 92.1 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 112.135 -0.386 . . . . 0.42 112.135 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.36 -26.19 63.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.249 0.219 . . . . 0.91 110.796 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . 0.488 HD13 ' HG ' ' B' ' 79' ' ' LEU . 1.5 mp -67.08 -50.29 62.16 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.15 0.58 . . . . 0.69 110.263 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.35 -6.66 58.35 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.464 0.913 . . . . 0.55 113.464 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -98.47 -42.47 7.3 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 118.227 0.467 . . . . 1.1 110.905 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -78.12 -12.28 59.98 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.828 0.677 . . . . 1.68 112.828 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -44.94 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 CA-C-N 118.309 0.504 . . . . 0.63 111.169 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -86.74 -41.95 13.73 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.898 0.479 . . . . 1.64 111.826 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -138.11 85.2 2.08 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 121.304 0.573 . . . . 1.65 112.302 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.54 -36.72 37.94 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 116.147 -0.479 . . . . 2.03 109.759 177.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -116.21 73.01 0.83 Allowed 'General case' 0 C--N 1.353 0.725 0 N-CA-C 108.433 -0.951 . . . . 1.36 108.433 177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -74.19 65.48 1.17 Allowed 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.013 0.435 . . . . 1.72 112.058 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -176.54 -43.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.433 0.693 . . . . 1.27 110.985 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -93.24 -50.86 5.28 Favored 'General case' 0 C--N 1.359 1.011 0 C-N-CA 122.948 0.499 . . . . 1.61 111.13 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 24.1 pt -128.05 131.27 69.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 122.683 0.393 . . . . 1.04 111.454 -179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -145.03 25.09 1.43 Allowed 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 113.13 0.789 . . . . 2.42 113.13 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -135.87 65.26 1.54 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.488 0.661 . . . . 1.86 111.153 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.323 -0.846 . . . . 1.85 110.495 179.572 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.472 HACB HG22 ' B' ' 18' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 N--CA 1.498 1.956 0 CA-C-O 121.025 0.441 . . . . 2.71 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 136.52 11.78 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 115.899 -0.591 . . . . 1.02 110.748 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.6 124.0 40.45 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 111.721 0.267 . . . . 0.7 111.721 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -134.68 134.53 22.25 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.56 0.744 . . . . 1.02 109.987 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -77.74 147.86 25.07 Favored 'Trans proline' 0 C--N 1.374 1.916 0 C-N-CA 122.381 2.054 . . . . 0.74 113.226 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.62 -75.01 0.36 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 122.758 0.423 . . . . 1.19 110.794 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -104.1 165.96 10.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.285 0.634 . . . . 0.98 109.795 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -55.62 -50.2 70.81 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 112.236 0.458 . . . . 1.42 112.236 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.9 mt -66.8 -35.23 79.6 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 119.705 -0.188 . . . . 0.65 111.494 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.42 -38.61 74.62 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 110.09 -0.337 . . . . 1.03 110.09 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.98 -30.43 70.55 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 122.891 0.476 . . . . 0.81 111.065 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.1 m -64.41 -43.97 92.73 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.386 0.274 . . . . 0.63 110.606 178.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -85.49 -12.33 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 112.22 0.452 . . . . 0.56 112.22 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -88.47 -41.47 12.74 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 123.185 0.594 . . . . 1.0 110.749 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -62.93 -29.17 70.58 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 111.953 0.353 . . . . 0.77 111.953 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -65.51 -28.58 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 109.913 -0.403 . . . . 0.5 109.913 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.43 -64.46 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 122.826 0.45 . . . . 0.95 110.713 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.5 p -52.41 -39.32 60.78 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 114.985 1.476 . . . . 0.62 114.985 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -66.53 -34.32 77.66 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.752 1.019 . . . . 0.66 113.752 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -111.76 -19.39 12.46 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.118 1.155 . . . . 0.95 114.118 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -74.84 -13.31 60.55 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 119.321 0.964 . . . . 3.17 113.444 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -70.87 -29.93 66.17 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.324 0.511 . . . . 1.37 109.641 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -98.12 -29.5 13.2 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 123.467 0.707 . . . . 1.55 111.472 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.96 -27.29 62.68 Favored 'General case' 0 N--CA 1.483 1.209 0 N-CA-C 112.937 0.718 . . . . 0.83 112.937 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -61.33 -20.89 63.46 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.986 0.736 . . . . 1.55 112.986 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -52.72 -43.43 65.67 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.818 0.847 . . . . 1.8 112.495 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -85.09 -179.49 7.05 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.482 0.313 . . . . 1.59 111.493 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.39 142.05 5.4 Favored Glycine 0 C--N 1.361 1.961 0 N-CA-C 115.017 0.767 . . . . 0.92 115.017 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.3 mtp85 67.02 145.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.598 1.159 . . . . 2.6 111.981 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 mmtm -87.82 -14.09 40.46 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 112.687 0.625 . . . . 1.22 112.687 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -123.22 59.09 1.09 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.692 0.397 . . . . 1.43 110.626 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -156.88 149.14 23.1 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 112.534 0.568 . . . . 1.09 112.534 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -88.63 149.09 23.71 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.717 -0.674 . . . . 0.76 109.32 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.4 t -84.26 154.19 23.12 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.317 0.247 . . . . 0.68 111.499 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -75.14 -32.95 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 112.41 0.522 . . . . 0.64 112.41 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -83.33 -43.71 15.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.433 0.293 . . . . 0.82 111.313 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.42 -26.98 66.69 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 111.965 0.357 . . . . 1.54 111.965 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -68.04 -42.0 81.24 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.744 0.418 . . . . 0.65 110.643 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.91 -31.39 72.6 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 122.663 0.385 . . . . 0.87 111.65 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -84.56 -33.67 23.39 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 122.798 0.439 . . . . 0.73 111.59 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.0 tp -64.47 -38.64 91.73 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 117.67 0.213 . . . . 0.65 111.351 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.5 t -71.94 -29.59 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 122.584 0.354 . . . . 0.45 111.61 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -110.8 48.2 0.93 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-O 121.03 0.443 . . . . 0.8 111.793 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -166.28 -52.38 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.87 0.468 . . . . 1.1 110.792 178.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -113.02 -3.23 14.05 Favored 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 112.711 0.634 . . . . 0.84 112.711 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.55 40.32 0.38 Allowed Pre-proline 0 CA--C 1.566 1.578 0 N-CA-C 112.095 0.406 . . . . 0.67 112.095 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.4 -40.34 0.21 Allowed 'Trans proline' 0 C--N 1.383 2.354 0 C-N-CA 121.906 1.738 . . . . 0.52 114.505 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -72.19 -38.05 69.16 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 111.912 0.338 . . . . 0.85 111.912 -179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.74 -59.45 5.15 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 122.829 0.451 . . . . 0.87 110.57 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.25 99.18 10.11 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 108.512 -0.922 . . . . 0.73 108.512 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -57.6 -28.59 63.78 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 111.915 0.339 . . . . 1.32 111.915 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -78.01 80.29 4.45 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 122.85 0.46 . . . . 2.08 110.5 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.4 m -96.16 -35.76 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 116.066 -0.515 . . . . 0.71 112.298 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -50.59 7.16 Favored Glycine 0 C--N 1.349 1.301 0 CA-C-O 119.755 -0.469 . . . . 0.83 113.283 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -84.66 88.47 7.36 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 117.213 0.506 . . . . 0.85 110.617 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.94 45.01 0.98 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 116.286 -0.416 . . . . 1.22 110.359 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -114.97 -43.26 3.12 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.852 0.461 . . . . 0.77 111.661 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -64.89 -37.08 86.45 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 117.832 0.287 . . . . 1.09 110.558 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -47.31 37.26 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 110.09 -0.337 . . . . 1.55 110.09 177.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 17.3 ttt -59.52 -39.04 82.58 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 113.074 0.768 . . . . 0.84 113.074 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -67.55 -43.73 79.96 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 111.965 0.357 . . . . 2.56 111.965 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.0 m -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.044 0.387 . . . . 0.61 112.044 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.712 HD22 ' HA ' ' A' ' 76' ' ' TYR . 30.7 mt -74.37 -58.42 3.31 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 122.405 0.282 . . . . 0.68 110.987 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -83.43 83.19 7.97 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.914 0.388 . . . . 1.39 110.633 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 p -90.51 -40.08 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 CA-C-N 115.815 -0.63 . . . . 0.73 110.419 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -75.62 -25.83 57.27 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 122.62 0.368 . . . . 1.44 111.007 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 63.2 79.67 0.25 Allowed 'General case' 0 C--N 1.363 1.159 0 C-N-CA 123.9 0.88 . . . . 1.96 111.691 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -131.53 25.46 4.77 Favored 'General case' 0 CA--C 1.556 1.192 0 CA-C-N 115.642 -0.708 . . . . 1.41 111.074 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.7 t 70.78 -68.45 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.077 0.951 . . . . 1.31 112.007 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.11 150.78 45.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.405 0.282 . . . . 2.42 111.164 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.22 92.75 4.35 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 122.734 0.413 . . . . 0.95 111.554 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -68.87 161.11 29.35 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 109.412 -0.588 . . . . 1.89 109.412 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -60.52 -26.96 67.25 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.617 0.599 . . . . 1.2 112.617 -179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -70.12 -31.81 69.53 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.832 -0.433 . . . . 0.98 109.832 177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -84.77 -40.89 16.71 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.731 0.412 . . . . 1.03 110.188 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.712 ' HA ' HD22 ' A' ' 63' ' ' LEU . 39.1 t80 -68.54 -16.6 63.93 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.179 0.592 . . . . 0.69 111.085 177.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -40.16 -40.88 1.18 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.874 1.67 . . . . 1.62 113.649 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.546 ' HB2' HD23 ' A' ' 63' ' ' LEU . 19.1 mmm-85 -62.8 -33.56 75.46 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 113.219 0.822 . . . . 1.96 113.219 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 63' ' ' LEU . 2.1 tp -79.19 -28.1 42.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 117.955 0.343 . . . . 0.53 111.699 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.6 mm -55.29 -40.55 57.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 122.317 0.247 . . . . 0.61 110.381 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.37 -33.95 46.96 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-O 120.029 -0.317 . . . . 0.47 112.354 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.67 -26.94 63.67 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.157 0.583 . . . . 0.86 111.833 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.12 -48.35 65.65 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.698 0.399 . . . . 0.67 110.962 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.23 -11.73 60.13 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 111.941 0.349 . . . . 0.55 111.941 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -84.56 -41.51 16.38 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.328 0.651 . . . . 0.96 110.712 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.58 -20.06 47.86 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.63 0.604 . . . . 1.65 112.63 -179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.468 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -61.84 -39.46 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 N-CA-C 112.563 0.579 . . . . 0.66 112.563 -179.486 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' H ' ' HD3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -102.38 -42.28 6.05 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.374 0.509 . . . . 1.74 112.374 -178.073 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -138.33 78.83 1.7 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.502 0.556 . . . . 1.52 112.502 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -80.66 -33.1 35.86 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.721 -0.474 . . . . 1.87 109.721 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -116.39 68.46 0.73 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.549 -0.908 . . . . 1.53 108.549 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -76.86 66.98 2.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.483 0.658 . . . . 1.81 111.373 -179.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.4 tp -175.07 -45.2 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.322 -0.854 . . . . 1.24 110.897 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -91.99 -55.94 3.26 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.369 0.668 . . . . 1.73 111.354 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.23 128.35 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 122.732 0.413 . . . . 1.06 110.926 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -135.44 49.46 2.17 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 120.908 0.385 . . . . 2.26 111.728 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.51 83.51 0.47 Allowed 'General case' 0 N--CA 1.478 0.975 0 CA-C-O 121.215 0.531 . . . . 1.74 110.724 178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.3 tttp . . . . . 0 N--CA 1.474 0.734 0 CA-C-N 115.697 -0.683 . . . . 1.71 110.251 -179.369 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 CA--C 1.55 0.962 0 N-CA-C 113.11 0.781 . . . . 1.75 113.11 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.67 138.88 49.58 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.113 0.415 . . . . 0.78 111.149 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.6 100.92 8.87 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 120.6 0.238 . . . . 0.69 110.677 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -92.66 145.12 29.78 Favored Pre-proline 0 N--CA 1.478 0.947 0 C-N-CA 123.67 0.788 . . . . 1.1 111.501 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.44 126.53 15.72 Favored 'Trans proline' 0 C--N 1.378 2.107 0 C-N-CA 122.426 2.084 . . . . 0.83 113.044 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.3 mt -122.15 -137.05 0.31 Allowed 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 118.797 -0.62 . . . . 1.24 110.495 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.5 m -78.89 162.82 25.77 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 119.363 0.983 . . . . 1.06 111.091 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -36.17 -54.44 0.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.46 1.282 . . . . 1.51 114.46 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 80.9 mt -70.73 -40.77 72.57 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 112.097 0.406 . . . . 0.65 112.097 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 122.448 0.299 . . . . 0.95 111.62 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -76.49 -30.84 57.41 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.428 0.691 . . . . 0.85 111.328 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 69.5 m -58.01 -55.11 39.12 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.795 0.438 . . . . 0.56 111.516 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.36 -19.94 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 123.16 0.287 . . . . 0.53 111.655 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -77.91 -36.79 49.07 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.195 0.598 . . . . 1.0 110.804 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 17.0 m -59.32 -37.74 78.53 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 122.758 0.423 . . . . 0.88 111.82 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.47 -35.73 74.24 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.139 0 C-N-CA 122.232 0.213 . . . . 0.56 111.57 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 47.1 t -81.56 -12.7 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 N-CA-C 112.345 0.498 . . . . 0.97 112.345 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.445 HG22 HAEB ' B' ' 99' ' ' ANW . 66.2 p -105.98 -33.59 7.87 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.839 0.681 . . . . 0.67 112.839 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -70.56 -37.7 74.04 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 112.326 0.491 . . . . 0.69 112.326 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -110.13 26.43 10.68 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.385 0.513 . . . . 1.02 112.385 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -76.92 -36.19 56.8 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 122.252 0.221 . . . . 3.08 110.503 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 7.4 m -58.75 -33.66 70.52 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.148 0.579 . . . . 1.37 111.825 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -88.12 -39.59 14.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.91 0.484 . . . . 1.54 111.426 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.45 85.24 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 113.486 0.921 . . . . 0.85 113.486 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -73.61 -20.51 60.58 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 113.349 0.87 . . . . 1.73 113.349 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -52.18 -47.54 65.48 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.606 0.762 . . . . 1.68 112.922 -178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -97.7 -169.72 1.88 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 122.586 0.354 . . . . 1.45 110.622 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.54 139.93 25.88 Favored Glycine 0 C--N 1.361 1.971 0 N-CA-C 114.625 0.61 . . . . 0.86 114.625 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? 63.29 139.33 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 124.123 0.969 . . . . 2.62 111.834 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -76.08 -47.43 24.6 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.489 0.315 . . . . 1.11 111.721 -179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -96.93 52.81 1.18 Allowed 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 120.9 0.381 . . . . 1.36 110.441 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 39.8 t -153.21 115.34 4.36 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 122.797 0.439 . . . . 1.13 110.644 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.65 147.32 37.6 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.264 0.225 . . . . 0.79 110.939 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 8.7 t -81.79 169.65 16.65 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 122.598 0.359 . . . . 0.69 111.503 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.98 -35.45 74.72 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.11 0 N-CA-C 112.486 0.55 . . . . 0.71 112.486 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -107.33 39.59 1.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 120.73 0.3 . . . . 0.83 111.199 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.92 -48.08 2.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.474 0.31 . . . . 1.61 110.561 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -66.74 -34.07 77.03 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 122.983 0.177 . . . . 0.66 111.183 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -65.58 -40.48 92.78 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.483 0.313 . . . . 0.81 111.116 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -68.52 -31.99 71.63 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.271 0.229 . . . . 0.69 110.767 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 34.6 tp -73.04 -35.87 66.81 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.484 0.314 . . . . 0.68 111.129 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.495 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 78.7 t -76.29 -22.99 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 122.465 0.306 . . . . 0.48 111.757 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -106.27 34.44 3.36 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 118.024 0.374 . . . . 0.83 111.197 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -161.19 -53.16 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 111.96 0.356 . . . . 0.98 111.96 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -107.62 -11.69 15.4 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.836 0.68 . . . . 0.73 112.836 -179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 2.2 tp -138.0 46.49 1.31 Allowed Pre-proline 0 CA--C 1.561 1.382 0 CA-C-N 118.138 0.427 . . . . 0.62 111.482 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -81.71 -36.46 0.33 Allowed 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.63 2.22 . . . . 0.48 115.154 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -79.41 -19.78 49.17 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 113.055 0.761 . . . . 0.81 113.055 -178.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 41.5 tp -72.81 -60.7 2.11 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.057 0.389 . . . . 0.88 110.557 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.4 mt -84.01 115.69 22.46 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.788 -0.819 . . . . 0.7 108.788 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -55.17 -36.01 65.41 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 113.015 0.746 . . . . 1.23 113.015 -179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.54 101.85 12.49 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 122.542 0.337 . . . . 1.94 110.575 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -88.15 -32.71 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-N 116.499 -0.319 . . . . 0.6 111.168 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.1 -35.73 8.0 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 119.806 -0.441 . . . . 0.67 112.711 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -90.52 73.84 6.84 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.142 0.471 . . . . 0.92 110.508 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.82 -6.83 23.11 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.85 -0.614 . . . . 1.24 111.556 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -64.12 -27.45 69.09 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.367 0.506 . . . . 0.73 112.367 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.86 -42.14 98.7 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 122.684 0.393 . . . . 1.1 110.904 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.0 -26.01 21.7 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 119.381 -0.342 . . . . 1.47 111.611 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 51.5 ttp -60.33 -39.4 86.93 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 112.124 0.416 . . . . 0.81 112.124 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -69.13 -34.33 74.85 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-N 117.684 0.22 . . . . 2.39 110.53 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 69.8 m -71.32 -37.93 71.73 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 109.941 -0.392 . . . . 0.63 109.941 177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' B' ' 79' ' ' LEU . 22.5 mt -68.11 -46.23 71.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.0 0.52 . . . . 0.69 111.17 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -87.95 72.71 9.25 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.84 0.352 . . . . 1.32 110.398 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.45 -35.08 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.964 0 CA-C-N 116.175 -0.466 . . . . 0.72 110.807 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -80.58 -31.49 36.79 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.092 0.557 . . . . 1.38 110.811 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 59.95 79.31 0.24 Allowed 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.058 0.943 . . . . 2.02 111.753 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -146.57 33.99 0.95 Allowed 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 115.676 -0.693 . . . . 1.3 110.871 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 71.1 m 68.5 -59.6 0.45 Allowed 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 124.494 1.118 . . . . 1.35 112.507 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -73.7 157.4 36.62 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.739 0.415 . . . . 2.4 110.849 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.86 100.11 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.395 0.278 . . . . 1.13 110.263 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -65.32 162.88 16.59 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.647 0.379 . . . . 1.81 110.307 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -62.58 -28.07 69.62 Favored 'General case' 0 N--CA 1.483 1.221 0 CA-C-N 118.21 0.459 . . . . 1.23 111.27 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -69.06 -37.19 78.39 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.782 -0.451 . . . . 0.99 109.782 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -84.92 -28.69 25.74 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.889 0.476 . . . . 0.93 110.693 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.461 ' HA ' HD22 ' B' ' 63' ' ' LEU . 52.1 t80 -81.41 -6.09 58.57 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 123.298 0.639 . . . . 0.71 111.415 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -19.24 61.99 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.355 0.662 . . . . 1.54 112.535 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -65.82 -29.44 69.91 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.342 0.257 . . . . 2.15 111.614 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.568 ' HB2' HD21 ' B' ' 63' ' ' LEU . 10.1 tp -92.24 -37.21 12.8 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 119.458 -0.306 . . . . 0.49 110.491 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 50.0 mm -56.91 -35.98 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 N-CA-C 110.255 -0.276 . . . . 0.56 110.255 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.37 90.84 Favored Glycine 0 C--N 1.353 1.528 0 N-CA-C 111.516 -0.634 . . . . 0.42 111.516 176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.48 -28.4 67.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.713 0.405 . . . . 0.91 110.986 177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.68 -53.68 54.55 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.545 0.338 . . . . 0.69 110.533 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.87 57.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 113.09 0.774 . . . . 0.55 113.09 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.94 -44.27 11.15 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.12 0.418 . . . . 1.1 111.316 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.63 -14.71 61.66 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 112.795 0.665 . . . . 1.68 112.795 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.54 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -61.35 -43.14 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 CA-C-N 117.895 0.316 . . . . 0.63 111.661 -179.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.61 -33.69 18.77 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.001 0.371 . . . . 1.64 112.001 -179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -145.72 90.17 1.97 Allowed 'General case' 0 C--N 1.355 0.84 0 N-CA-C 112.655 0.613 . . . . 1.65 112.655 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -35.41 25.0 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 109.038 -0.727 . . . . 2.03 109.038 176.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -132.81 84.48 2.14 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.289 -1.004 . . . . 1.36 108.289 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.28 65.62 4.5 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-O 121.309 0.576 . . . . 1.72 111.07 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 12.1 tp -161.8 -47.97 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 115.533 -0.758 . . . . 1.27 110.685 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -91.1 -56.52 3.13 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.519 0.327 . . . . 1.61 110.498 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 8.3 pt -103.47 130.12 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 122.661 0.384 . . . . 1.04 110.383 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -129.92 9.58 5.38 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.076 0.769 . . . . 2.42 113.076 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.26 119.46 3.84 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 117.959 0.345 . . . . 1.86 111.386 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 57.4 tttp . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.173 -0.918 . . . . 1.85 110.584 179.33 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.414 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.467 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.068 0.461 . . . . 2.71 111.538 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.74 170.21 20.31 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.191 -0.459 . . . . 1.02 111.897 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.32 98.37 9.93 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 122.885 0.474 . . . . 0.7 111.057 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -113.67 133.21 22.27 Favored Pre-proline 0 CA--C 1.554 1.111 0 C-N-CA 122.843 0.457 . . . . 1.02 110.593 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -79.07 147.5 21.0 Favored 'Trans proline' 0 C--N 1.377 2.032 0 C-N-CA 122.972 2.448 . . . . 0.74 114.137 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.7 mt -138.93 -69.64 0.43 Allowed 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.836 0.454 . . . . 1.19 111.041 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.6 p -107.13 174.49 5.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.098 0.559 . . . . 0.98 110.695 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.68 -45.55 91.75 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 112.453 0.538 . . . . 1.42 112.453 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.31 -39.67 62.72 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 111.592 0.219 . . . . 0.65 111.592 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.03 -34.09 77.6 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 110.35 -0.241 . . . . 1.03 110.35 177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -68.03 -31.3 70.87 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 122.801 0.44 . . . . 0.81 111.198 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -63.47 -58.07 8.21 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 117.816 0.28 . . . . 0.63 111.125 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -67.08 -27.69 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 N-CA-C 111.933 0.345 . . . . 0.56 111.933 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -71.75 -41.5 68.35 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.03 0.532 . . . . 1.0 110.786 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.8 m -61.23 -34.49 75.21 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.941 0.497 . . . . 0.77 111.825 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.8 t -69.32 -31.9 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-N 117.767 0.258 . . . . 0.5 110.85 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.8 t -72.71 -50.2 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 122.69 0.396 . . . . 0.95 110.444 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -59.99 -46.44 89.47 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.202 1.186 . . . . 0.62 114.202 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -64.43 -42.73 95.86 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 113.438 0.903 . . . . 0.66 113.438 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -87.64 -32.33 19.33 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.375 0.88 . . . . 0.95 113.375 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -65.72 -16.87 64.18 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 112.73 0.641 . . . . 3.17 112.73 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 m -61.98 -32.59 73.06 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-N 117.68 0.218 . . . . 1.37 110.633 177.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -105.26 -26.62 11.95 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.101 0.561 . . . . 1.55 111.806 179.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -20.89 61.74 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 113.546 0.943 . . . . 0.83 113.546 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -68.17 -14.27 62.85 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 113.196 0.813 . . . . 1.55 113.196 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -71.34 -44.47 65.0 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 112.398 0.518 . . . . 1.8 112.398 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -81.13 -178.04 6.73 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.314 0.246 . . . . 1.59 111.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -52.8 133.3 40.38 Favored Glycine 0 C--N 1.36 1.872 0 N-CA-C 114.325 0.49 . . . . 0.92 114.325 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? 65.11 134.98 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.189 0.996 . . . . 2.6 112.173 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -81.35 -29.52 34.08 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 116.069 -0.514 . . . . 1.22 111.483 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -84.12 -13.7 52.27 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.917 0.487 . . . . 1.43 112.141 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 72' ' ' LYS . 22.6 t -97.89 152.87 18.77 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 112.442 0.534 . . . . 1.09 112.442 -178.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.5 mp -101.16 152.5 20.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.587 -0.733 . . . . 0.76 109.765 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.2 t -83.06 147.88 27.87 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 110.336 -0.246 . . . . 0.68 110.336 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.66 -22.37 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.181 0 N-CA-C 113.404 0.89 . . . . 0.64 113.404 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -101.07 -29.32 12.22 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.259 0.466 . . . . 0.82 112.259 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -73.1 -37.53 66.69 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 112.26 0.467 . . . . 1.54 112.26 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -66.19 -38.25 87.55 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 117.691 0.223 . . . . 0.65 110.603 179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -65.45 -40.01 92.73 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.564 0.346 . . . . 0.87 110.841 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -66.09 -34.32 77.79 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 122.411 0.284 . . . . 0.73 111.093 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.48 -37.94 88.3 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.723 0.409 . . . . 0.65 110.807 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.4 t -68.98 -32.1 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 122.955 0.502 . . . . 0.45 111.425 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -100.76 28.69 4.99 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 122.403 0.281 . . . . 0.8 111.678 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -153.48 -58.38 0.13 Allowed 'General case' 0 C--N 1.36 1.043 0 N-CA-C 112.151 0.426 . . . . 1.1 112.151 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -104.06 -14.99 15.71 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 113.444 0.905 . . . . 0.84 113.444 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.52 51.69 5.23 Favored Pre-proline 0 CA--C 1.564 1.499 0 CA-C-N 118.165 0.439 . . . . 0.67 112.151 -179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -85.41 -32.86 0.26 Allowed 'Trans proline' 0 C--N 1.379 2.133 0 C-N-CA 122.232 1.954 . . . . 0.52 114.782 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -69.27 -39.64 78.27 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.51 0.559 . . . . 0.85 112.51 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.7 tp -64.61 -56.07 16.28 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.565 0.346 . . . . 0.87 111.517 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.2 mt -93.5 106.08 18.08 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 109.408 -0.59 . . . . 0.73 109.408 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -60.79 -29.22 69.31 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.581 0.586 . . . . 1.32 112.581 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.32 71.65 5.26 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 122.397 0.279 . . . . 2.08 111.351 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.5 -38.21 59.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 116.915 -0.13 . . . . 0.71 111.175 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.64 -28.55 18.75 Favored Glycine 0 C--N 1.355 1.59 0 CA-C-O 119.782 -0.455 . . . . 0.83 112.732 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t -99.17 53.08 0.96 Allowed 'General case' 0 C--N 1.357 0.914 0 CA-C-O 121.009 0.433 . . . . 0.85 110.883 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -17.19 38.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 122.79 0.436 . . . . 1.22 111.379 179.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -51.86 -32.79 33.62 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.612 0.968 . . . . 0.77 113.612 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -62.07 -39.7 93.32 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-N 117.876 0.307 . . . . 1.09 110.889 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -88.71 -30.92 18.75 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.554 0.342 . . . . 1.55 111.191 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 45.4 ttp -58.48 -40.23 82.16 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 122.912 0.485 . . . . 0.84 111.476 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -66.79 -34.46 77.88 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 122.993 0.183 . . . . 2.56 110.902 178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.0 m -71.09 -34.97 71.65 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.911 0.484 . . . . 0.61 111.796 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 79' ' ' LEU . 80.1 mt -67.79 -59.17 3.52 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.389 0.276 . . . . 0.68 111.129 179.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -85.21 74.6 10.42 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 121.083 0.468 . . . . 1.39 110.558 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.6 p -90.35 -27.25 5.1 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.144 0 CA-C-N 115.633 -0.712 . . . . 0.73 111.032 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -69.73 -19.72 63.54 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.37 0.668 . . . . 1.44 112.335 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 61.79 60.06 1.65 Allowed 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.843 0.857 . . . . 1.96 112.175 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -144.02 16.4 1.74 Allowed 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 116.148 -0.478 . . . . 1.41 112.034 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.1 m 55.39 29.84 13.84 Favored 'General case' 0 CA--C 1.557 1.249 0 N-CA-C 113.215 0.82 . . . . 1.31 113.215 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.58 116.92 16.48 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 122.887 0.475 . . . . 2.42 110.058 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.89 77.31 1.84 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 120.758 0.313 . . . . 0.95 111.556 -178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 32' ' ' SER . 7.1 ttpm? -68.96 159.43 32.75 Favored 'General case' 0 N--CA 1.486 1.367 0 CA-C-O 118.683 -0.675 . . . . 1.89 109.753 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -28.67 48.08 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.905 0.705 . . . . 1.2 112.905 -179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -68.07 -32.77 73.34 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 109.824 -0.436 . . . . 0.98 109.824 176.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -91.25 -40.15 11.68 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.921 0.888 . . . . 1.03 110.762 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.71 ' HA ' HD22 ' A' ' 63' ' ' LEU . 44.4 t80 -68.59 -16.36 63.83 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.852 0.861 . . . . 0.69 111.709 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.39 -27.55 16.18 Favored 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 123.788 0.835 . . . . 1.62 112.387 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.635 ' HB2' HD23 ' A' ' 63' ' ' LEU . 13.7 mmm-85 -62.15 -34.51 76.53 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 122.884 0.473 . . . . 1.96 111.343 179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.736 ' HB2' HD21 ' A' ' 63' ' ' LEU . 22.3 tp -88.93 -28.92 19.96 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.337 0.255 . . . . 0.53 110.508 178.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.8 mm -59.79 -37.42 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 C-N-CA 122.842 0.457 . . . . 0.61 110.469 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.97 -44.88 87.63 Favored Glycine 0 C--N 1.354 1.531 0 N-CA-C 111.598 -0.601 . . . . 0.47 111.598 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.18 -22.94 62.9 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.77 0.428 . . . . 0.86 111.249 178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.5 tp -65.51 -43.52 89.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.379 0.672 . . . . 0.67 111.004 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . . . -93.94 -18.55 21.81 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 112.732 0.641 . . . . 0.55 112.732 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -77.5 -48.6 16.65 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 117.821 0.282 . . . . 0.96 110.786 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -60.09 -30.94 69.57 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.447 0.906 . . . . 1.65 113.447 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -38.59 79.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 CA-C-N 118.894 0.77 . . . . 0.66 111.517 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -102.24 10.2 39.45 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 112.719 0.637 . . . . 1.74 112.719 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt 179.76 63.89 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.394 0.678 . . . . 1.52 111.288 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -42.48 29.24 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 122.382 -0.199 . . . . 1.87 111.115 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.57 65.79 1.33 Allowed 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 108.449 -0.945 . . . . 1.53 108.449 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.29 68.09 0.73 Allowed 'General case' 0 N--CA 1.483 1.193 0 CA-C-O 121.262 0.553 . . . . 1.81 111.517 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.34 -48.71 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.876 0.871 . . . . 1.24 109.932 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -87.89 -55.05 3.93 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.103 0.561 . . . . 1.73 110.732 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.1 pt -115.29 138.7 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.167 0.587 . . . . 1.06 110.064 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -143.36 37.93 1.38 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 112.313 0.486 . . . . 2.26 112.313 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.84 90.76 0.4 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.329 0.252 . . . . 1.74 111.451 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 tttp . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 121.018 0.437 . . . . 1.71 110.609 179.775 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 112.472 0.545 . . . . 1.75 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.34 160.44 14.53 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 122.821 0.448 . . . . 0.78 110.57 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.565 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -93.17 111.11 22.65 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.124 0.169 . . . . 0.69 111.429 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -104.48 142.29 24.31 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 123.046 0.539 . . . . 1.1 111.573 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -58.11 128.85 30.32 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 123.203 2.602 . . . . 0.83 114.121 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.8 mt -135.19 -153.3 0.51 Allowed 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 123.294 0.638 . . . . 1.24 110.509 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.9 m -56.41 159.8 3.46 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 118.915 0.78 . . . . 1.06 110.796 179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.17 -46.78 12.29 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.558 0.947 . . . . 1.51 113.558 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.3 mt -70.35 -41.36 73.25 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 111.811 0.301 . . . . 0.65 111.811 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.77 -24.48 60.95 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.565 0.346 . . . . 0.95 111.515 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -84.1 -31.19 25.41 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.464 0.706 . . . . 0.85 111.448 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.4 m -59.26 -51.54 69.51 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 117.858 0.299 . . . . 0.56 110.955 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.423 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.8 pp -69.82 -23.87 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 N-CA-C 111.948 0.351 . . . . 0.53 111.948 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.565 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 0.9 OUTLIER -72.97 -38.23 66.78 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.995 0.518 . . . . 1.0 111.061 178.371 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.5 m -59.07 -35.68 73.78 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 112.41 0.522 . . . . 0.88 112.41 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 38.8 t -65.65 -31.06 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 122.311 0.244 . . . . 0.56 110.683 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 50.3 t -74.34 -58.93 3.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 123.015 0.526 . . . . 0.97 110.686 179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 65.8 p -58.6 -35.61 72.72 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 113.822 1.045 . . . . 0.67 113.822 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -42.15 82.33 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 119.373 -0.346 . . . . 0.69 111.887 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -111.11 26.07 11.09 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.087 0.773 . . . . 1.02 113.087 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -80.55 -40.38 26.01 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 118.422 0.556 . . . . 3.08 109.897 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 28.6 m -59.9 -31.21 69.6 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.861 0.464 . . . . 1.37 111.004 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.34 -32.84 19.42 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.737 0.415 . . . . 1.54 111.039 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.68 -23.96 58.71 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.792 0.664 . . . . 0.85 112.792 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -86.3 5.11 36.06 Favored 'General case' 0 CA--C 1.555 1.135 0 N-CA-C 112.832 0.678 . . . . 1.73 112.832 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -80.02 -44.4 20.22 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.552 0.341 . . . . 1.68 111.503 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -107.81 176.72 5.05 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 122.719 0.408 . . . . 1.45 111.219 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -21.2 123.61 0.01 OUTLIER Glycine 0 C--N 1.362 2.0 0 N-CA-C 116.736 1.454 . . . . 0.86 116.736 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? 65.28 146.81 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.333 1.053 . . . . 2.62 112.616 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -80.77 -36.0 32.45 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.115 -0.493 . . . . 1.11 110.512 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.59 46.59 0.94 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.012 0.525 . . . . 1.36 110.104 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 32.3 t -152.72 139.0 18.41 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.959 0.504 . . . . 1.13 110.878 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.3 mp -97.2 153.23 18.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.892 0.477 . . . . 0.79 110.624 -179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -83.88 164.67 19.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.279 0.232 . . . . 0.69 110.676 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.95 -27.4 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 N-CA-C 112.54 0.57 . . . . 0.71 112.54 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -95.45 -32.45 12.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.179 0.437 . . . . 0.83 112.179 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -69.18 -41.07 77.67 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 112.738 0.644 . . . . 1.61 112.738 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -67.57 -35.87 79.85 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 111.52 0.193 . . . . 0.66 111.52 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -68.4 -36.68 79.47 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.711 0.404 . . . . 0.81 110.819 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -65.06 -32.71 74.56 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 122.533 0.333 . . . . 0.69 110.777 178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 27.6 tp -71.73 -37.65 70.55 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.874 0.47 . . . . 0.68 111.003 178.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.39 -29.12 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 122.609 0.364 . . . . 0.48 111.091 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.22 40.84 1.59 Allowed 'General case' 0 CA--C 1.551 0.984 0 CA-C-O 120.641 0.257 . . . . 0.83 111.103 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -159.85 -57.15 0.06 Allowed 'General case' 0 N--CA 1.476 0.839 0 O-C-N 122.255 -0.278 . . . . 0.98 111.521 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -109.21 -13.38 14.66 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.462 0.542 . . . . 0.73 112.462 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 tp -133.29 42.54 0.86 Allowed Pre-proline 0 CA--C 1.566 1.591 0 N-CA-C 112.417 0.525 . . . . 0.62 112.417 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.09 -38.3 0.45 Allowed 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.069 1.846 . . . . 0.48 114.799 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -72.61 -22.21 61.0 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 112.525 0.565 . . . . 0.81 112.525 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 14.6 tp -73.03 -64.88 0.88 Allowed 'General case' 0 C--N 1.355 0.812 0 CA-C-N 117.844 0.293 . . . . 0.88 110.785 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.8 mt -87.33 99.59 12.09 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.682 -0.859 . . . . 0.7 108.682 178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -45.86 -41.41 11.18 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.327 0.862 . . . . 1.23 113.327 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -91.32 85.2 5.74 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 110.223 -0.288 . . . . 1.94 110.223 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 34.6 m -85.76 -30.5 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 N-CA-C 112.319 0.488 . . . . 0.6 112.319 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.76 -48.09 6.36 Favored Glycine 0 C--N 1.352 1.443 0 CA-C-O 119.695 -0.503 . . . . 0.67 113.393 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 10.3 t -99.69 63.04 1.21 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 117.037 0.419 . . . . 0.92 110.691 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -95.41 67.87 2.95 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.937 -0.764 . . . . 1.24 108.937 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -116.15 -32.85 5.21 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 115.171 -0.922 . . . . 0.73 111.403 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -59.45 -40.29 86.36 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.663 0.385 . . . . 1.1 110.876 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -79.66 -42.9 23.82 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 122.585 0.354 . . . . 1.47 110.289 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . 0.516 ' HA ' HD12 ' B' ' 63' ' ' LEU . 42.9 ttp -49.84 -38.24 34.13 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 112.922 0.712 . . . . 0.81 112.922 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -73.2 -40.58 64.64 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 122.231 0.212 . . . . 2.39 111.105 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 67.3 m -71.42 -25.58 62.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.73 0.412 . . . . 0.63 111.392 178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.537 HD11 HD13 ' B' ' 79' ' ' LEU . 52.6 mt -72.38 -61.83 1.66 Allowed 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.885 0.474 . . . . 0.69 110.674 178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -90.05 84.23 6.14 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 122.753 0.421 . . . . 1.32 109.972 -178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 p -89.54 -21.27 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 0 CA-C-N 115.672 -0.695 . . . . 0.72 111.971 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -76.0 -21.0 57.37 Favored 'General case' 0 CA--C 1.554 1.112 0 N-CA-C 112.628 0.603 . . . . 1.38 112.628 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 60.88 61.0 1.73 Allowed 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 123.475 0.71 . . . . 2.02 111.313 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -139.36 15.44 2.58 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.328 0.492 . . . . 1.3 112.328 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.2 t 60.32 27.66 17.23 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.507 0.723 . . . . 1.35 112.686 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -134.73 127.22 30.56 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 122.655 0.382 . . . . 2.4 110.412 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.0 mp -104.55 73.44 1.1 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.983 0.42 . . . . 1.13 110.38 179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -61.06 171.32 1.29 Allowed 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 109.019 -0.734 . . . . 1.81 109.019 178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 84' ' ' ALA . 1.2 t80 -65.79 -19.75 66.0 Favored 'General case' 0 N--CA 1.485 1.302 0 CA-C-N 119.492 1.042 . . . . 1.23 111.693 179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -77.42 -32.01 54.4 Favored 'General case' 0 CA--C 1.552 1.038 0 N-CA-C 109.547 -0.538 . . . . 0.99 109.547 176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -86.2 -43.8 12.7 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.639 0.776 . . . . 0.93 110.068 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.414 ' HA ' HD22 ' B' ' 63' ' ' LEU . 11.3 t80 -69.48 -13.95 62.62 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 123.845 0.858 . . . . 0.71 111.271 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -39.39 -40.08 0.76 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 125.602 1.561 . . . . 1.54 113.185 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.446 ' HB2' HD23 ' B' ' 63' ' ' LEU . 2.5 mmt-85 -69.57 -32.1 70.67 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 113.752 1.019 . . . . 2.15 113.752 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.537 HD13 HD11 ' B' ' 63' ' ' LEU . 3.8 tp -75.59 -35.84 60.47 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 118.753 0.706 . . . . 0.49 111.682 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 25.3 mm -61.57 -38.17 79.58 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.185 -0.672 . . . . 0.56 109.185 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -71.63 -43.37 52.4 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 111.44 -0.664 . . . . 0.42 111.44 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -71.01 -22.42 62.16 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.495 0.318 . . . . 0.91 111.491 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.25 -52.41 63.85 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 122.994 0.518 . . . . 0.69 109.791 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.541 ' O ' HG22 ' B' ' 87' ' ' ILE . . . -77.13 -29.3 54.66 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 115.929 -0.578 . . . . 0.55 111.899 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.46 -27.47 65.26 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 117.76 0.254 . . . . 1.1 110.87 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -100.62 31.18 3.59 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 122.628 0.371 . . . . 1.68 111.927 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.541 HG22 ' O ' ' B' ' 84' ' ' ALA . 0.2 OUTLIER -111.4 -37.11 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 122.999 0.519 . . . . 0.63 110.422 178.218 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -43.41 2.76 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 122.683 0.393 . . . . 1.64 111.267 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -104.89 41.68 1.31 Allowed 'General case' 0 C--N 1.359 0.983 0 N-CA-C 112.045 0.387 . . . . 1.65 112.045 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.09 -38.53 66.37 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 122.437 0.295 . . . . 2.03 111.012 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -141.71 70.6 1.34 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.397 0.679 . . . . 1.36 109.466 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -61.95 -24.96 67.31 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 113.716 1.006 . . . . 1.72 113.716 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 2.5 mp -87.21 -44.45 11.45 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.375 0.509 . . . . 1.27 112.375 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -75.28 -60.66 2.2 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 112.193 0.442 . . . . 1.61 112.193 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.7 pt -109.68 143.1 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 C-N-CA 122.777 0.431 . . . . 1.04 111.234 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -149.23 30.82 0.76 Allowed 'General case' 0 CA--C 1.554 1.116 0 N-CA-C 113.685 0.994 . . . . 2.42 113.685 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -164.84 78.45 0.33 Allowed 'General case' 0 N--CA 1.482 1.169 0 CA-C-O 121.071 0.463 . . . . 1.86 111.547 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.054 -0.974 . . . . 1.85 110.67 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.482 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.414 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.0 ptt? . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.292 0.567 . . . . 2.71 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.31 152.68 39.54 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.487 -0.779 . . . . 1.02 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.527 ' HB3' HG23 ' A' ' 18' ' ' THR . . . -86.56 108.06 18.41 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.709 -0.223 . . . . 0.7 111.261 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -127.88 143.71 48.73 Favored Pre-proline 0 CA--C 1.556 1.186 0 C-N-CA 123.213 0.605 . . . . 1.02 110.691 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -81.2 145.82 15.46 Favored 'Trans proline' 0 C--N 1.38 2.233 0 C-N-CA 122.636 2.224 . . . . 0.74 114.144 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.1 mt -139.51 -62.03 0.53 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.081 0.552 . . . . 1.19 111.904 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -117.77 163.58 16.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.561 0.744 . . . . 0.98 110.544 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -54.72 -49.5 70.6 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 112.67 0.619 . . . . 1.42 112.67 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.1 mt -74.36 -37.58 63.46 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 117.918 0.326 . . . . 0.65 111.68 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -63.68 -38.35 90.8 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.262 0.225 . . . . 1.03 110.434 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -67.07 -35.76 80.53 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.483 0.713 . . . . 0.81 111.644 179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.9 m -55.68 -57.03 13.68 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.346 0.258 . . . . 0.63 111.14 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -71.71 -21.57 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 112.222 0.453 . . . . 0.56 112.222 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -80.19 -36.26 35.18 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.132 0.573 . . . . 1.0 111.979 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.4 m -64.67 -33.69 76.54 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.432 0.293 . . . . 0.77 111.686 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.38 -33.98 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 122.545 0.338 . . . . 0.5 111.048 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.53 -45.84 21.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-O 119.299 -0.381 . . . . 0.95 111.357 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -62.46 -38.27 89.14 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 112.711 0.634 . . . . 0.62 112.711 -179.52 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -62.46 -42.1 99.24 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 111.577 0.214 . . . . 0.66 111.577 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -112.33 42.8 1.73 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-O 120.683 0.278 . . . . 0.95 111.071 179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -91.92 -41.75 10.42 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.783 0.433 . . . . 3.17 110.342 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -61.81 -34.24 75.56 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.14 0.576 . . . . 1.37 111.506 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -79.19 -38.18 36.45 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.509 0.324 . . . . 1.55 111.134 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.25 71.32 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.787 0.662 . . . . 0.83 112.787 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -79.48 -11.86 59.89 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 112.339 0.496 . . . . 1.55 112.339 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.35 -46.39 83.68 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 122.334 0.254 . . . . 1.8 111.086 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -93.07 -179.88 5.23 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 122.669 0.388 . . . . 1.59 110.606 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.24 139.11 26.19 Favored Glycine 0 C--N 1.355 1.626 0 N-CA-C 115.501 0.961 . . . . 0.92 115.501 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 68.06 137.6 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.649 1.18 . . . . 2.6 112.409 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -74.52 -37.7 63.0 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.233 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -97.91 44.99 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.661 0.384 . . . . 1.43 110.423 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.0 t -146.84 141.1 26.27 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 112.323 0.49 . . . . 1.09 112.323 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.0 mp -101.99 160.84 14.15 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 109.244 -0.65 . . . . 0.76 109.244 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.4 t -97.0 162.6 13.31 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 111.634 0.235 . . . . 0.68 111.634 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.01 -31.37 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.039 0.536 . . . . 0.64 112.085 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -91.83 -30.67 16.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 122.817 0.447 . . . . 0.82 110.945 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -69.51 -36.46 76.49 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 112.381 0.511 . . . . 1.54 112.381 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.28 -38.36 71.83 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.882 -0.414 . . . . 0.65 109.882 178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.02 -39.96 95.27 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 122.739 0.416 . . . . 0.87 110.783 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -69.21 -31.6 70.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.568 0.347 . . . . 0.73 110.736 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.0 -32.16 70.2 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.752 0.421 . . . . 0.65 111.612 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.8 t -82.83 -26.17 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.159 0.583 . . . . 0.45 111.419 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -107.05 32.99 4.2 Favored 'General case' 0 CA--C 1.556 1.189 0 N-CA-C 111.787 0.292 . . . . 0.8 111.787 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -157.65 -58.74 0.08 Allowed 'General case' 0 N--CA 1.483 1.208 0 O-C-N 122.03 -0.419 . . . . 1.1 112.109 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -104.25 -12.54 16.59 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 112.541 0.571 . . . . 0.84 112.541 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.09 44.72 1.1 Allowed Pre-proline 0 CA--C 1.567 1.606 0 N-CA-C 112.457 0.54 . . . . 0.67 112.457 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -82.87 -28.66 1.56 Allowed 'Trans proline' 0 C--N 1.382 2.32 0 C-N-CA 122.592 2.195 . . . . 0.52 114.614 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -76.27 -27.4 56.67 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 112.485 0.55 . . . . 0.85 112.485 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.66 -62.71 1.32 Allowed 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.614 0.188 . . . . 0.87 111.157 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.7 mt -85.56 110.88 19.54 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 108.932 -0.766 . . . . 0.73 108.932 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -31.8 69.43 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 112.57 0.581 . . . . 1.32 112.57 -178.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -90.14 92.16 8.84 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.481 -0.563 . . . . 2.08 109.481 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.9 m -89.24 -18.09 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 112.89 0.7 . . . . 0.71 112.89 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -102.2 -60.46 0.75 Allowed Glycine 0 C--N 1.355 1.62 0 CA-C-N 117.932 0.333 . . . . 0.83 113.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 t -83.66 88.81 7.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.956 0.354 . . . . 0.85 111.956 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -105.74 27.86 8.06 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 122.719 0.408 . . . . 1.22 111.383 179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.04 -26.23 63.0 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 122.096 -0.377 . . . . 0.77 111.537 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.1 -36.09 72.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 122.714 0.406 . . . . 1.09 111.339 178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -94.37 -22.76 18.12 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.308 0.484 . . . . 1.55 112.308 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 51.0 ttp -65.25 -43.07 92.51 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.341 0.519 . . . . 0.84 110.643 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -69.87 -34.93 74.24 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.226 0.329 . . . . 2.56 110.388 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.6 m -69.37 -36.23 76.63 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.771 0.429 . . . . 0.61 110.574 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 79' ' ' LEU . 20.8 mt -66.61 -61.66 1.86 Allowed 'General case' 0 C--N 1.355 0.807 0 C-N-CA 123.192 0.597 . . . . 0.68 110.705 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.43 82.43 8.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 122.661 0.384 . . . . 1.39 110.979 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.8 p -96.95 -26.73 3.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.084 0 CA-C-N 116.101 -0.499 . . . . 0.73 110.973 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -77.71 -33.48 53.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.212 0.605 . . . . 1.44 111.507 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 68.64 58.89 0.39 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 124.313 1.045 . . . . 1.96 112.434 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.0 14.7 5.23 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.907 -0.588 . . . . 1.41 111.157 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 t 76.53 -52.78 0.59 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 124.413 1.085 . . . . 1.31 112.199 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -74.73 125.16 28.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.493 0.317 . . . . 2.42 111.232 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mp -90.68 88.74 7.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.436 0.295 . . . . 0.95 110.505 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -66.21 165.1 14.41 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 119.358 -0.353 . . . . 1.89 110.443 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.9 -25.04 60.29 Favored 'General case' 0 N--CA 1.489 1.512 0 CA-C-N 118.314 0.506 . . . . 1.2 112.325 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -72.09 -30.3 64.96 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.799 -0.445 . . . . 0.98 109.799 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -37.12 22.68 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.366 0.666 . . . . 1.03 109.801 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.27 -21.44 61.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.1 0.56 . . . . 0.69 110.788 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -51.02 -35.35 33.75 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.74 1.216 . . . . 1.62 112.986 179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.6 mmm-85 -63.37 -39.43 94.5 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.262 0.467 . . . . 1.96 112.262 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.446 ' HB2' HD21 ' A' ' 63' ' ' LEU . 25.5 tp -74.02 -26.02 60.2 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.536 -0.268 . . . . 0.53 111.475 179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 47.9 mm -65.44 -34.66 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 N-CA-C 110.143 -0.317 . . . . 0.61 110.143 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -61.51 -47.24 91.77 Favored Glycine 0 C--N 1.358 1.765 0 N-CA-C 112.497 -0.241 . . . . 0.47 112.497 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -78.07 -17.11 57.4 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 122.768 0.427 . . . . 0.86 111.876 178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.2 tp -61.37 -50.07 74.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.505 0.722 . . . . 0.67 111.445 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.608 ' HB3' ' CZ ' ' B' ' 73' ' ' PHE . . . -88.66 -16.67 31.78 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.181 0.437 . . . . 0.55 112.181 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -78.16 -26.76 47.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 122.564 0.346 . . . . 0.96 111.289 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.65 -15.19 24.19 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 113.603 0.964 . . . . 1.65 113.603 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -61.67 -38.56 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 118.913 0.779 . . . . 0.66 111.618 179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -97.78 -35.5 10.51 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 112.175 0.435 . . . . 1.74 112.175 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -137.77 68.98 1.4 Allowed 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 112.387 0.514 . . . . 1.52 112.387 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -34.56 77.94 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 122.3 -0.25 . . . . 1.87 110.609 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -131.62 85.06 2.22 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.65 -0.87 . . . . 1.53 108.65 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.92 70.76 5.31 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.348 0.594 . . . . 1.81 111.996 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 tp -176.44 -46.74 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 115.503 -0.771 . . . . 1.24 110.579 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -85.05 -53.46 5.27 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.126 0.571 . . . . 1.73 110.86 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.6 pt -121.47 132.89 69.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 122.99 0.516 . . . . 1.06 110.855 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -145.52 40.61 1.21 Allowed 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 112.717 0.636 . . . . 2.26 112.717 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -168.79 94.49 0.34 Allowed 'General case' 0 N--CA 1.483 1.222 0 CA-C-O 121.045 0.45 . . . . 1.74 111.344 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.0 tttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-N 116.312 -0.404 . . . . 1.71 110.313 179.566 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.479 0.548 . . . . 1.75 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.72 129.58 42.72 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 122.675 0.39 . . . . 0.78 111.079 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.544 ' HB1' ' HG2' ' B' ' 14' ' ' GLU . . . -71.65 108.38 4.97 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 116.628 -0.26 . . . . 0.69 111.525 -179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -98.35 143.31 26.06 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 123.21 0.604 . . . . 1.1 110.978 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -59.16 129.37 31.34 Favored 'Trans proline' 0 C--N 1.38 2.201 0 C-N-CA 122.918 2.412 . . . . 0.83 113.725 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.9 mt -133.45 -133.98 0.17 Allowed 'General case' 0 CA--C 1.564 1.496 0 CA-C-O 118.948 -0.548 . . . . 1.24 110.557 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.1 m -68.12 163.32 22.8 Favored 'General case' 0 C--N 1.368 1.381 0 CA-C-N 119.172 0.896 . . . . 1.06 110.866 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.32 -43.07 53.66 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 113.035 0.754 . . . . 1.51 113.035 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.9 mt -74.83 -41.94 58.96 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 117.712 0.233 . . . . 0.65 110.952 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.62 -30.67 68.45 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.745 0.418 . . . . 0.95 110.976 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.99 -31.43 62.96 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.553 0.741 . . . . 0.85 111.355 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -61.78 -53.5 55.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 122.527 0.331 . . . . 0.56 111.081 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 pp -69.31 -21.1 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 122.443 0.297 . . . . 0.53 111.463 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.544 ' HG2' ' HB1' ' B' ' 3' ' ' ALA . 5.2 tm-20 -78.52 -37.68 42.43 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 123.388 0.675 . . . . 1.0 110.811 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 26.8 m -57.57 -39.55 77.0 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.995 0.518 . . . . 0.88 111.551 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.72 -29.1 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 122.495 0.318 . . . . 0.56 111.064 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -82.4 -22.7 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 122.969 0.507 . . . . 0.97 111.823 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 30.6 p -97.62 -11.66 23.34 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 112.865 0.691 . . . . 0.67 112.865 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -98.39 -56.76 2.37 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 112.188 0.44 . . . . 0.69 112.188 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.409 ' CD1' HD13 ' B' ' 41' ' ' LEU . 67.5 t80 -94.73 -41.63 9.16 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.81 1.041 . . . . 1.02 113.81 -178.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -59.08 -16.69 20.48 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.137 0.791 . . . . 3.08 113.137 -179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -68.98 -39.39 79.42 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.719 -0.475 . . . . 1.37 109.719 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -83.28 -16.0 47.98 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.268 0.627 . . . . 1.54 111.834 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 5.29 20.0 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.13 1.159 . . . . 0.85 114.13 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -81.85 -1.11 46.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.451 0.537 . . . . 1.73 112.451 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -64.11 -50.77 66.98 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.713 0.405 . . . . 1.68 112.082 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -86.03 -178.98 6.68 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 110.34 -0.245 . . . . 1.45 110.34 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.66 143.6 17.83 Favored Glycine 0 C--N 1.355 1.638 0 N-CA-C 114.692 0.637 . . . . 0.86 114.692 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? 66.79 148.52 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.088 0.955 . . . . 2.62 112.795 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -91.84 -37.67 12.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.817 -0.629 . . . . 1.11 110.114 178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -90.01 52.79 2.36 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.427 0.632 . . . . 1.36 110.408 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.5 p -152.57 156.95 40.32 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 115.576 -0.738 . . . . 1.13 110.584 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mp -110.61 132.69 53.98 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.675 -0.491 . . . . 0.79 109.675 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 39.5 t -64.1 143.94 57.49 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.453 0.301 . . . . 0.69 111.788 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.53 -21.73 27.87 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.199 0 N-CA-C 113.196 0.814 . . . . 0.71 113.196 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -97.2 -32.74 11.78 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.602 0.361 . . . . 0.83 111.646 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.48 -33.08 48.47 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 113.156 0.799 . . . . 1.61 113.156 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -65.51 -33.09 75.11 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.483 0.583 . . . . 0.66 111.619 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.47 -38.6 74.44 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 0.81 111.009 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -74.35 -29.43 61.57 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.42 0.288 . . . . 0.69 111.42 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.409 HD13 ' CD1' ' B' ' 20' ' ' PHE . 50.4 tp -63.33 -44.61 94.44 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 122.584 0.353 . . . . 0.68 111.054 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.94 -20.17 21.67 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 C-N-CA 122.853 0.461 . . . . 0.48 111.832 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 26.9 m -89.12 -19.01 26.07 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 112.683 0.623 . . . . 0.83 112.683 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -113.94 -57.48 2.27 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 112.974 0.731 . . . . 0.98 112.974 -178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -96.49 -11.0 26.14 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.135 1.161 . . . . 0.73 114.135 -177.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.422 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 2.2 tp -136.98 42.48 0.67 Allowed Pre-proline 0 CA--C 1.566 1.563 0 CA-C-N 119.067 0.849 . . . . 0.62 112.888 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.422 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 96.5 Cg_endo -82.41 -37.25 0.23 Allowed 'Trans proline' 0 C--N 1.383 2.358 0 C-N-CA 122.255 1.97 . . . . 0.48 114.374 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -68.21 -34.23 75.87 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.341 0.497 . . . . 0.81 112.341 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 30.9 tp -68.44 -63.59 1.03 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.836 0.454 . . . . 0.88 111.17 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.67 109.62 19.31 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 109.318 -0.623 . . . . 0.7 109.318 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -57.31 -33.06 67.31 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 122.849 0.46 . . . . 1.23 112.144 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -84.46 84.25 7.72 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 109.759 -0.46 . . . . 1.94 109.759 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.76 -31.04 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 N-CA-C 112.812 0.671 . . . . 0.6 112.812 -178.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.2 -41.7 5.46 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.038 -0.312 . . . . 0.67 113.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 31.9 t -100.97 81.73 2.29 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.602 0.361 . . . . 0.92 110.953 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.08 1.58 47.14 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 112.439 0.533 . . . . 1.24 112.439 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -56.36 -30.48 62.72 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.007 0.743 . . . . 0.73 113.007 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -70.16 -39.84 75.09 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 122.356 0.263 . . . . 1.1 111.02 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.451 ' HB3' HD13 ' B' ' 79' ' ' LEU . 4.0 mptt -110.75 58.02 0.61 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.336 0.589 . . . . 1.47 109.683 178.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 22.3 ttt -141.89 -53.88 0.44 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.326 -0.852 . . . . 0.81 109.407 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -74.73 -34.53 62.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.752 0.421 . . . . 2.39 109.946 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 27.2 m -67.87 -34.76 77.3 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.111 0.564 . . . . 0.63 111.055 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' B' ' 79' ' ' LEU . 82.4 mt -68.17 -67.51 0.46 Allowed 'General case' 0 C--N 1.357 0.908 0 O-C-N 123.259 0.349 . . . . 0.69 110.456 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -79.07 86.56 4.89 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.944 0.402 . . . . 1.32 110.006 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -20.81 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 115.642 -0.708 . . . . 0.72 112.156 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -81.66 -15.03 55.83 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.853 0.686 . . . . 1.38 112.853 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 58.67 53.39 6.03 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.197 0.599 . . . . 2.02 111.221 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.39 6.57 10.13 Favored 'General case' 0 CA--C 1.552 1.024 0 CA-C-N 116.244 -0.435 . . . . 1.3 112.088 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.5 m 61.36 24.4 14.51 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.567 0.747 . . . . 1.35 112.24 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -141.92 107.49 5.07 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.538 0.735 . . . . 2.4 109.186 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mp -84.26 90.29 7.51 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.658 0.244 . . . . 1.13 111.658 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -70.98 -179.5 2.31 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.578 -0.897 . . . . 1.81 108.578 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.608 ' CZ ' ' HB3' ' A' ' 84' ' ' ALA . 1.7 t80 -71.07 -27.09 63.38 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 119.001 0.819 . . . . 1.23 111.428 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -70.68 -26.33 63.38 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 110.011 -0.366 . . . . 0.99 110.011 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.73 -47.39 7.39 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.5 0.72 . . . . 0.93 110.478 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.531 ' HA ' HD22 ' B' ' 63' ' ' LEU . 20.6 t80 -69.07 -14.83 63.25 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 123.458 0.703 . . . . 0.71 112.308 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -48.96 -31.42 7.36 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 124.342 1.057 . . . . 1.54 112.799 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.638 ' HB2' HD23 ' B' ' 63' ' ' LEU . 4.1 mmm-85 -63.79 -27.36 69.13 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 112.576 0.584 . . . . 2.15 112.576 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.682 ' HB2' HD21 ' B' ' 63' ' ' LEU . 13.3 tp -92.36 -33.19 14.68 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 118.076 0.398 . . . . 0.49 111.374 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.2 mm -57.84 -39.67 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 N-CA-C 109.987 -0.375 . . . . 0.56 109.987 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.47 -41.3 77.49 Favored Glycine 0 C--N 1.353 1.512 0 N-CA-C 110.631 -0.987 . . . . 0.42 110.631 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -65.87 -24.25 66.82 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 122.778 0.431 . . . . 0.91 111.227 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 1.9 mp -63.89 -53.7 46.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 110.146 -0.316 . . . . 0.69 110.146 178.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.88 -15.67 56.91 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.492 0.553 . . . . 0.55 112.492 178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -86.8 -34.85 19.43 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 118.104 0.411 . . . . 1.1 110.653 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -91.18 31.22 1.14 Allowed 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 122.645 0.378 . . . . 1.68 111.761 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.425 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.1 OUTLIER -104.67 -36.92 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 123.211 0.605 . . . . 0.63 109.791 178.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -115.75 -42.4 3.11 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.59 0.756 . . . . 1.64 111.443 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -105.55 42.11 1.28 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.607 0.241 . . . . 1.65 111.609 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -73.35 -43.11 61.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 109.687 -0.486 . . . . 2.03 109.687 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -131.95 61.27 1.66 Allowed 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 108.94 -0.763 . . . . 1.36 108.94 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -76.45 70.95 3.07 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-O 121.57 0.7 . . . . 1.72 112.093 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -175.07 -45.9 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 CA-C-N 115.134 -0.939 . . . . 1.27 109.368 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -82.23 -50.15 9.3 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.608 0.763 . . . . 1.61 110.237 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 27.6 pt -120.65 148.19 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.073 0.549 . . . . 1.04 110.63 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -139.06 18.04 2.62 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 112.876 0.695 . . . . 2.42 112.876 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -160.01 110.23 1.86 Allowed 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.081 0.4 . . . . 1.86 111.616 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 39.3 tttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.114 -0.946 . . . . 1.85 111.007 179.329 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.428 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 113.207 0.817 . . . . 2.71 113.207 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.03 156.44 18.04 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 117.961 0.346 . . . . 1.02 111.38 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' A' ' 14' ' ' GLU . . . -100.34 93.42 5.66 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 116.165 -0.471 . . . . 0.7 110.605 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -102.16 135.28 19.67 Favored Pre-proline 0 CA--C 1.551 0.996 0 CA-C-N 116.33 -0.395 . . . . 1.02 110.921 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.38 136.48 14.17 Favored 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 122.582 2.188 . . . . 0.74 113.066 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.4 mt -132.21 -61.05 0.88 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.457 0.303 . . . . 1.19 111.126 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.0 167.85 10.18 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 109.566 -0.531 . . . . 0.98 109.566 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.93 -45.02 91.43 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 112.272 0.471 . . . . 1.42 112.272 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -72.22 -33.9 67.93 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 112.229 0.455 . . . . 0.65 112.229 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.85 -37.19 70.3 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.133 -0.321 . . . . 1.03 110.133 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -69.95 -28.52 65.64 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.235 0.614 . . . . 0.81 111.6 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -60.87 -53.4 57.82 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.865 0.466 . . . . 0.63 111.567 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -78.49 -17.43 13.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 112.057 0.392 . . . . 0.56 112.057 179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 6.6 tm-20 -75.27 -34.61 61.36 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.238 0.615 . . . . 1.0 110.436 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.8 m -62.63 -35.13 78.61 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.242 0.617 . . . . 0.77 111.704 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.57 -28.85 43.39 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 122.37 0.268 . . . . 0.5 110.905 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.6 t -81.31 -55.4 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 122.853 0.461 . . . . 0.95 110.936 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -63.48 -35.34 80.15 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 113.931 1.085 . . . . 0.62 113.931 -178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.8 m -68.97 -41.87 77.36 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 112.394 0.516 . . . . 0.66 112.394 -179.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -103.2 6.55 38.35 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.871 1.063 . . . . 0.95 113.871 -178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -68.42 -31.37 70.64 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 118.699 0.682 . . . . 3.17 110.938 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 m -57.94 -37.43 74.11 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.112 0.565 . . . . 1.37 112.351 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -95.14 -24.06 17.02 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.602 0.594 . . . . 1.55 112.602 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.27 -19.29 31.8 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 112.747 0.647 . . . . 0.83 112.747 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -79.44 -36.77 38.39 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 113.326 0.861 . . . . 1.55 113.326 -178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -74.36 -19.17 60.54 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.657 0.984 . . . . 1.8 113.657 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -133.91 118.27 17.73 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.446 0.566 . . . . 1.59 111.827 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.78 81.66 0.26 Allowed Glycine 0 C--N 1.353 1.483 0 CA-C-O 119.53 -0.595 . . . . 0.92 114.426 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 58.12 172.27 0.06 Allowed 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 123.599 0.76 . . . . 2.6 112.759 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.82 -47.24 9.23 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.621 -0.263 . . . . 1.22 111.226 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -98.34 46.29 1.0 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 120.923 0.392 . . . . 1.43 110.888 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.1 t -152.78 137.2 16.71 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 122.924 0.49 . . . . 1.09 110.628 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.54 160.15 17.6 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.6 0.36 . . . . 0.76 111.187 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.8 t -88.11 157.29 18.89 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.707 0.403 . . . . 0.68 110.63 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.9 p -73.48 -25.65 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 N-CA-C 112.656 0.613 . . . . 0.64 112.656 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -98.64 -27.06 14.17 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.285 0.476 . . . . 0.82 112.285 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.91 -31.46 40.19 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.788 0.662 . . . . 1.54 112.788 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -66.29 -33.45 75.76 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 118.444 0.566 . . . . 0.65 111.195 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -65.81 -36.44 83.51 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.121 0.568 . . . . 0.87 110.733 178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -69.59 -30.96 68.85 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.809 0.444 . . . . 0.73 110.909 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD11 HD11 ' B' ' 9' ' ' LEU . 21.7 tp -66.89 -32.62 74.0 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.774 0.429 . . . . 0.65 111.175 178.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.16 -23.71 8.32 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 122.898 0.479 . . . . 0.45 111.566 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.3 m -100.96 1.24 39.54 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 113.264 0.838 . . . . 0.8 113.264 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -129.52 -61.2 1.02 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 118.947 0.794 . . . . 1.1 112.575 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -97.02 -3.41 41.54 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.072 0.767 . . . . 0.84 113.072 -178.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -145.76 56.61 3.52 Favored Pre-proline 0 CA--C 1.558 1.263 0 CA-C-N 118.192 0.451 . . . . 0.67 111.84 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -88.18 -32.07 0.17 Allowed 'Trans proline' 0 C--N 1.372 1.783 0 C-N-CA 122.252 1.968 . . . . 0.52 115.608 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -79.94 -15.97 56.21 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.63 0.974 . . . . 0.85 113.63 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.69 -56.63 4.36 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 118.264 0.484 . . . . 0.87 111.289 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 77.3 mt -96.53 113.7 25.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.316 -0.624 . . . . 0.73 109.316 178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.36 -33.82 31.38 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 113.172 0.804 . . . . 1.32 113.172 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.25 93.73 8.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.606 0.362 . . . . 2.08 110.419 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 m -84.22 -32.33 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 116.46 -0.336 . . . . 0.71 111.631 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -101.47 -22.44 10.42 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-O 119.599 -0.556 . . . . 0.83 113.104 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.7 t -96.74 74.32 2.7 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 117.544 0.672 . . . . 0.85 111.475 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.75 13.5 34.26 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.982 0.513 . . . . 1.22 111.392 178.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.17 -36.64 74.82 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 117.962 0.346 . . . . 0.77 111.611 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -69.98 -28.15 65.3 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.441 0.296 . . . . 1.09 111.678 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -88.93 -45.52 9.62 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.361 0.264 . . . . 1.55 110.645 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 55.1 ttp -55.79 -33.5 64.44 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.645 0.609 . . . . 0.84 112.645 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -67.48 -42.68 82.54 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.239 0.215 . . . . 2.56 111.224 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.9 m -69.9 -32.72 71.18 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.089 0.243 . . . . 0.61 111.269 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.54 HD22 ' HA ' ' A' ' 76' ' ' TYR . 43.7 mt -72.43 -52.92 13.77 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.155 0.285 . . . . 0.68 110.815 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.17 63.39 8.08 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 120.935 0.398 . . . . 1.39 111.417 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.1 p -87.37 -31.47 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 CA-C-N 116.288 -0.414 . . . . 0.73 110.269 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -70.65 -30.29 66.87 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.278 0.631 . . . . 1.44 110.758 178.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 64.17 78.68 0.28 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.269 1.028 . . . . 1.96 112.75 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -158.78 17.5 0.19 Allowed 'General case' 0 CA--C 1.563 1.458 0 N-CA-C 112.698 0.629 . . . . 1.41 112.698 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.9 m 56.17 26.34 10.17 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 113.187 0.81 . . . . 1.31 113.187 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -135.96 98.72 3.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.69 0.396 . . . . 2.42 110.021 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.0 mp -81.91 80.38 8.2 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.207 -0.451 . . . . 0.95 111.187 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -68.62 158.82 33.23 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.582 -0.895 . . . . 1.89 108.582 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.46 -23.71 51.42 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 119.137 0.881 . . . . 1.2 113.013 -179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -68.89 -32.51 72.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 110.019 -0.363 . . . . 0.98 110.019 176.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -95.65 -40.13 9.56 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.604 0.762 . . . . 1.03 110.835 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.54 ' HA ' HD22 ' A' ' 63' ' ' LEU . 47.4 t80 -69.4 -10.83 59.7 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.028 0.931 . . . . 0.69 112.308 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -19.49 61.76 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 112.723 0.638 . . . . 1.62 112.723 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.518 ' HB2' HD23 ' A' ' 63' ' ' LEU . 1.5 mmt180 -70.66 -29.56 65.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.016 0.371 . . . . 1.96 111.623 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.497 ' HB2' HD21 ' A' ' 63' ' ' LEU . 21.1 tp -84.52 -32.99 23.6 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 119.466 -0.302 . . . . 0.53 110.358 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.496 HD11 ' CE2' ' A' ' 76' ' ' TYR . 46.6 mm -68.29 -31.97 53.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 109.483 -0.562 . . . . 0.61 109.483 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -64.58 -38.74 96.09 Favored Glycine 0 C--N 1.358 1.785 0 N-CA-C 111.36 -0.696 . . . . 0.47 111.36 176.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -80.28 -26.25 39.04 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.14 0.576 . . . . 0.86 110.095 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 9.7 tp -59.41 -45.42 91.56 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.683 0.793 . . . . 0.67 111.428 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.62 -28.5 19.48 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 112.071 0.397 . . . . 0.55 112.071 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -75.22 -31.38 60.85 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 119.611 -0.233 . . . . 0.96 111.531 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -97.24 32.24 2.25 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.062 0.764 . . . . 1.65 113.062 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' B' ' 3' ' ' ALA . 0.2 OUTLIER -102.73 -40.31 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 108.427 -0.953 . . . . 0.66 108.427 176.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -32.88 12.62 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 123.467 0.707 . . . . 1.74 111.821 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -130.05 61.2 1.58 Allowed 'General case' 0 C--N 1.36 1.047 0 N-CA-C 112.503 0.557 . . . . 1.52 112.503 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -36.24 56.8 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.607 -0.516 . . . . 1.87 109.607 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -139.36 51.27 1.77 Allowed 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 108.651 -0.87 . . . . 1.53 108.651 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -50.81 -34.08 26.17 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 114.149 1.166 . . . . 1.81 114.149 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 tp -64.4 -35.15 79.95 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.011 0.194 . . . . 1.24 111.52 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -97.88 -55.08 2.9 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.031 0.532 . . . . 1.73 111.527 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.3 pt -119.46 131.12 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 123.245 0.618 . . . . 1.06 111.9 -178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -137.19 31.29 2.66 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.354 0.502 . . . . 2.26 112.354 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -159.71 94.08 1.12 Allowed 'General case' 0 N--CA 1.482 1.167 0 O-C-N 122.22 -0.3 . . . . 1.74 111.034 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 44.9 tttp . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 120.859 0.362 . . . . 1.71 110.679 -179.512 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptt? . . . . . 0 CA--C 1.549 0.927 0 CA-C-O 120.407 0.146 . . . . 1.75 111.327 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 143.06 47.31 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 122.809 0.443 . . . . 0.78 111.08 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.49 ' HA ' HD12 ' A' ' 87' ' ' ILE . . . -92.68 112.62 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 122.404 0.281 . . . . 0.69 111.378 -179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -95.93 132.54 26.87 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 122.767 0.427 . . . . 1.1 110.387 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.95 130.28 28.67 Favored 'Trans proline' 0 C--N 1.378 2.082 0 C-N-CA 122.79 2.327 . . . . 0.83 113.359 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -132.41 -147.38 0.31 Allowed 'General case' 0 CA--C 1.566 1.596 0 C-N-CA 123.397 0.679 . . . . 1.24 110.513 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 4.0 m -57.66 161.85 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 119.28 0.946 . . . . 1.06 112.013 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -43.6 -48.49 7.62 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 113.957 1.095 . . . . 1.51 113.957 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 41' ' ' LEU . 91.2 mt -67.86 -42.69 80.93 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 117.899 0.318 . . . . 0.65 111.283 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.8 -28.37 65.67 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.457 0.303 . . . . 0.95 111.109 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -74.6 -27.49 60.5 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.218 0.607 . . . . 0.85 110.76 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 70.7 m -59.56 -48.86 80.0 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.005 0.522 . . . . 0.56 111.6 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.467 HD12 ' N ' ' B' ' 14' ' ' GLU . 2.9 pp -78.87 -27.48 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 122.411 0.284 . . . . 0.53 111.536 178.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.467 ' N ' HD12 ' B' ' 13' ' ' ILE . 5.8 tm-20 -68.84 -41.34 78.64 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.349 0.66 . . . . 1.0 110.852 179.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 15.5 p -61.54 -32.0 72.04 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 122.791 0.437 . . . . 0.88 112.021 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.28 -29.71 43.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 122.21 0.204 . . . . 0.56 110.624 178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.31 -59.49 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-O 119.595 -0.24 . . . . 0.97 110.888 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 61.4 p -57.98 -39.76 78.99 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 113.767 1.025 . . . . 0.67 113.767 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -67.16 -27.04 66.97 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 112.607 0.595 . . . . 0.69 112.607 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -129.43 32.57 4.63 Favored 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 113.165 0.802 . . . . 1.02 113.165 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -91.37 -34.36 14.91 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 109.507 -0.553 . . . . 3.08 109.507 177.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 6.4 m -60.2 -39.03 85.12 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.291 0.637 . . . . 1.37 111.439 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -78.57 -37.97 41.34 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 122.719 0.408 . . . . 1.54 110.523 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.7 -23.47 67.26 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.766 0.654 . . . . 0.85 112.766 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -91.52 17.78 8.21 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 112.274 0.472 . . . . 1.73 112.274 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -91.82 -43.11 9.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 122.691 0.396 . . . . 1.68 111.232 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -103.82 -171.5 1.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.122 0.569 . . . . 1.45 110.706 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.13 136.79 5.29 Favored Glycine 0 C--N 1.363 2.062 0 N-CA-C 115.274 0.87 . . . . 0.86 115.274 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? 64.77 147.97 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.355 1.062 . . . . 2.62 111.896 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -87.95 -33.72 18.34 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 112.236 0.458 . . . . 1.11 112.236 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -100.35 36.89 1.78 Allowed 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 111.996 0.369 . . . . 1.36 111.996 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -144.03 142.59 30.75 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.242 0.217 . . . . 1.13 111.536 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.5 mp -90.39 165.13 14.02 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 116.177 -0.465 . . . . 0.79 110.255 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.6 t -105.45 159.88 15.58 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 122.72 0.408 . . . . 0.69 110.248 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -64.16 -33.89 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 N-CA-C 111.701 0.26 . . . . 0.71 111.701 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.11 -29.94 43.49 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 122.204 0.201 . . . . 0.83 111.535 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.75 -43.21 66.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.632 0.373 . . . . 1.61 111.953 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.77 -36.49 73.09 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.273 0.229 . . . . 0.66 111.367 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -60.7 -40.47 92.38 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 122.901 0.48 . . . . 0.81 111.179 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -80.68 -24.85 38.61 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.524 0.33 . . . . 0.69 111.292 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.39 -46.07 71.02 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.495 0.318 . . . . 0.68 110.766 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.29 -27.24 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 122.386 0.274 . . . . 0.48 111.32 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m -100.93 33.13 2.92 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 112.218 0.451 . . . . 0.83 112.218 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -159.8 -60.82 0.07 Allowed 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.772 -0.58 . . . . 0.98 112.427 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -100.77 -11.57 19.78 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 112.724 0.638 . . . . 0.73 112.724 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.8 tp -135.07 47.78 2.52 Favored Pre-proline 0 CA--C 1.564 1.492 0 CA-C-N 118.083 0.401 . . . . 0.62 111.613 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -83.15 -37.67 0.17 Allowed 'Trans proline' 0 C--N 1.385 2.458 0 C-N-CA 122.563 2.175 . . . . 0.48 115.361 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -71.41 -34.2 70.13 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 112.297 0.48 . . . . 0.81 112.297 -178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.49 -59.38 4.39 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.282 0.233 . . . . 0.88 110.882 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 68.6 mt -88.0 99.6 12.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 116.348 -0.387 . . . . 0.7 110.115 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -53.42 -34.9 59.56 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.192 0.597 . . . . 1.23 112.356 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.11 82.03 5.05 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.156 0.582 . . . . 1.94 110.412 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 m -86.13 -23.18 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 112.693 0.627 . . . . 0.6 112.693 -179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -89.67 -44.19 4.95 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-O 119.917 -0.379 . . . . 0.67 113.676 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -90.53 70.34 6.86 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 117.097 0.449 . . . . 0.92 111.672 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.81 -16.9 60.69 Favored 'General case' 0 N--CA 1.484 1.261 0 CA-C-O 119.538 -0.267 . . . . 1.24 110.93 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -50.67 -33.16 21.49 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.777 0.658 . . . . 0.73 112.777 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.36 -42.04 94.96 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 117.631 0.196 . . . . 1.1 110.732 178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.21 38.83 2.44 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 123.012 0.525 . . . . 1.47 110.487 179.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttt -113.08 -52.91 2.75 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.26 0.624 . . . . 0.81 109.846 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -70.38 -26.93 63.94 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 122.706 0.403 . . . . 2.39 110.711 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 50.6 m -71.59 -34.8 70.21 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 123.123 0.569 . . . . 0.63 110.952 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' B' ' 78' ' ' ARG . 65.7 mt -75.56 -66.15 0.81 Allowed 'General case' 0 C--N 1.357 0.926 0 N-CA-C 109.978 -0.378 . . . . 0.69 109.978 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -81.59 82.86 7.21 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 109.346 -0.613 . . . . 1.32 109.346 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.3 -29.96 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 115.493 -0.776 . . . . 0.72 112.175 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -73.6 -13.26 60.98 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.304 0.483 . . . . 1.38 112.304 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 66.29 75.63 0.33 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.701 0.801 . . . . 2.02 112.226 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -150.56 10.23 0.64 Allowed 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 112.423 0.527 . . . . 1.3 112.423 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t 57.08 31.46 20.0 Favored 'General case' 0 CA--C 1.554 1.102 0 N-CA-C 113.003 0.742 . . . . 1.35 113.003 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -134.53 137.62 43.98 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.656 0.383 . . . . 2.4 110.962 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.06 66.66 0.76 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.192 -0.458 . . . . 1.13 110.221 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -61.71 161.01 10.66 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 108.67 -0.863 . . . . 1.81 108.67 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -22.89 64.81 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 119.294 0.952 . . . . 1.23 113.38 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.85 -33.19 60.01 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.345 0.521 . . . . 0.99 109.634 177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.5 -39.03 16.67 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 123.142 0.577 . . . . 0.93 110.235 178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.494 ' HA ' HD22 ' B' ' 63' ' ' LEU . 47.1 t80 -68.05 -18.53 64.71 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.391 1.076 . . . . 0.71 110.439 177.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 17.0 t90 -41.96 -37.74 1.41 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 125.792 1.637 . . . . 1.54 113.579 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.536 ' HB2' HD23 ' B' ' 63' ' ' LEU . 22.2 mmm-85 -67.38 -30.95 70.87 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 112.508 0.558 . . . . 2.15 112.508 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.419 ' HB2' HD21 ' B' ' 63' ' ' LEU . 11.0 tp -77.07 -29.77 55.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.166 0.439 . . . . 0.49 110.538 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.5 mm -62.01 -40.73 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 123.15 0.58 . . . . 0.56 110.23 178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -69.49 -32.55 71.53 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 111.821 -0.512 . . . . 0.42 111.821 177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -83.6 -7.42 59.51 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 122.943 0.497 . . . . 0.91 111.694 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.4 -51.85 8.85 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 122.952 0.501 . . . . 0.69 110.854 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.63 -27.43 40.96 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 112.759 0.651 . . . . 0.55 112.759 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -67.83 -40.21 83.78 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 117.982 0.356 . . . . 1.1 110.77 178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -75.32 -20.89 58.82 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.518 0.562 . . . . 1.68 112.518 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -38.95 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 CA-C-N 118.523 0.601 . . . . 0.63 111.468 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 4.11 15.21 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.183 0.808 . . . . 1.64 113.183 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -168.33 67.41 0.07 Allowed 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 118.787 0.721 . . . . 1.65 112.429 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 ptmm? -84.57 -38.08 20.4 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-N 116.48 -0.327 . . . . 2.03 110.286 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -136.07 80.39 1.82 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 108.45 -0.944 . . . . 1.36 108.45 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -85.42 59.29 5.54 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 121.24 0.543 . . . . 1.72 112.073 -178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 tp -171.89 -49.62 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 115.701 -0.681 . . . . 1.27 110.065 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -76.98 -45.76 26.3 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 122.515 0.326 . . . . 1.61 110.506 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 pp -133.63 108.1 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 122.905 0.482 . . . . 1.04 110.319 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -113.66 37.23 3.31 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 112.004 0.372 . . . . 2.42 112.004 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.37 90.13 0.27 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 112.399 0.518 . . . . 1.86 112.399 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 41.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.075 -0.964 . . . . 1.85 110.098 178.237 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.427 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.484 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptm . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.291 0.567 . . . . 2.71 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.46 131.32 17.07 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.628 -0.715 . . . . 1.02 110.813 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.7 113.16 24.7 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.153 0.283 . . . . 0.7 110.852 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -117.24 135.7 23.21 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 122.613 0.365 . . . . 1.02 110.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.39 131.63 15.3 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.73 2.287 . . . . 0.74 113.7 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.5 mt -123.93 -61.82 1.34 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.191 0.596 . . . . 1.19 110.147 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -115.98 159.41 21.66 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.922 -0.769 . . . . 0.98 108.922 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.83 -38.25 72.37 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 112.258 0.466 . . . . 1.42 112.258 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.0 mt -71.55 -37.24 71.12 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 117.644 0.202 . . . . 0.65 111.118 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.71 -29.9 63.75 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.825 -0.435 . . . . 1.03 109.825 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.16 -32.62 73.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 123.802 0.841 . . . . 0.81 111.474 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -57.2 -55.46 34.47 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.167 0.432 . . . . 0.63 112.167 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.559 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.8 pp -75.51 -26.02 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 111.801 0.297 . . . . 0.56 111.801 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 13' ' ' ILE . 2.9 tm-20 -66.38 -42.08 88.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 122.992 0.517 . . . . 1.0 111.258 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.5 m -63.09 -27.1 69.16 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 112.615 0.598 . . . . 0.77 112.615 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.9 t -69.12 -32.71 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 122.357 0.263 . . . . 0.5 111.11 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.1 t -84.95 -47.89 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.626 0.37 . . . . 0.95 111.098 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -62.43 -41.63 98.85 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.735 1.013 . . . . 0.62 113.735 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -68.11 -43.05 79.31 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 112.382 0.512 . . . . 0.66 112.382 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 41' ' ' LEU . 6.4 t80 -107.91 46.47 0.95 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 120.772 0.32 . . . . 0.95 111.529 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -92.6 -48.37 6.64 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.581 -0.281 . . . . 3.17 110.95 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.3 m -56.05 -33.16 64.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.992 0.367 . . . . 1.37 111.992 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -79.27 -36.91 39.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 122.554 0.342 . . . . 1.55 110.985 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.1 -30.44 69.61 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 113.251 0.834 . . . . 0.83 113.251 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -83.75 1.45 42.75 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.86 0.689 . . . . 1.55 112.86 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -73.99 -43.5 57.86 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 118.151 0.432 . . . . 1.8 111.929 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -137.96 123.52 19.7 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 111.835 0.309 . . . . 1.59 111.835 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.37 106.22 0.04 OUTLIER Glycine 0 C--N 1.351 1.413 0 CA-C-O 119.737 -0.479 . . . . 0.92 114.045 178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 50.34 -175.77 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 113.643 0.979 . . . . 2.6 113.643 178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mmtm -99.89 -42.48 6.78 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.991 0.516 . . . . 1.22 112.021 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.71 47.18 0.89 Allowed 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 121.023 0.439 . . . . 1.43 111.553 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.3 p -147.96 123.4 10.35 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 116.047 -0.524 . . . . 1.09 110.08 178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.8 mp -76.88 170.13 17.05 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.501 -0.318 . . . . 0.76 110.769 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.0 t -105.12 158.38 16.61 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.844 -0.428 . . . . 0.68 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -30.02 48.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.129 0 N-CA-C 112.578 0.585 . . . . 0.64 112.578 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -91.69 -33.72 14.94 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.534 0.334 . . . . 0.82 111.806 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -71.77 -35.13 69.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 112.671 0.619 . . . . 1.54 112.671 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -71.86 -37.88 70.16 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.223 0.465 . . . . 0.65 110.183 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -58.96 -33.87 71.14 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.488 0.715 . . . . 0.87 111.813 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.91 -37.17 70.12 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.583 0.353 . . . . 0.73 111.499 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 20' ' ' PHE . 15.8 tp -65.11 -32.28 73.9 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 122.973 0.509 . . . . 0.65 112.079 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.8 t -70.5 -34.04 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 122.558 0.343 . . . . 0.45 110.781 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.81 34.13 3.3 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 122.665 0.386 . . . . 0.8 111.633 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -147.49 -56.44 0.24 Allowed 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 112.162 0.43 . . . . 1.1 112.162 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -120.51 -2.57 9.96 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.302 0.853 . . . . 0.84 113.302 -178.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.402 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -138.07 42.24 0.59 Allowed Pre-proline 0 CA--C 1.563 1.45 0 CA-C-N 118.351 0.523 . . . . 0.67 112.213 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 86.4 Cg_endo -80.11 -38.91 0.3 Allowed 'Trans proline' 0 C--N 1.382 2.327 0 C-N-CA 122.078 1.852 . . . . 0.52 114.092 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -67.06 -33.41 75.44 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 112.016 0.376 . . . . 0.85 112.016 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.39 -53.44 29.26 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.369 0.268 . . . . 0.87 110.555 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.5 mt -101.31 93.99 5.7 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.936 -0.764 . . . . 0.73 108.936 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.3 -36.91 69.2 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 113.577 0.954 . . . . 1.32 113.577 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -87.86 73.51 9.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.985 0.422 . . . . 2.08 110.517 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 31.8 m -77.63 -32.02 17.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.861 -0.609 . . . . 0.71 112.084 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.78 19.72 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-O 119.988 -0.34 . . . . 0.83 113.856 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.5 t -97.24 74.67 2.53 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.167 0.508 . . . . 0.85 110.944 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.71 -8.15 52.97 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 115.764 -0.653 . . . . 1.22 111.005 179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -59.35 -33.84 71.65 Favored 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 113.099 0.777 . . . . 0.77 113.099 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.56 -46.63 88.35 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 117.83 0.286 . . . . 1.09 111.013 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -87.58 -18.5 29.57 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 112.103 0.409 . . . . 1.55 112.103 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 54.9 ttp -69.18 -41.3 77.37 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.544 0.338 . . . . 0.84 111.278 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -59.14 -33.62 71.1 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 122.953 0.158 . . . . 2.56 111.124 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.4 m -70.05 -37.94 75.68 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 110.289 -0.263 . . . . 0.61 110.289 177.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.741 HD21 ' HB2' ' A' ' 79' ' ' LEU . 52.5 mt -66.89 -49.23 66.26 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 110.272 -0.27 . . . . 0.68 110.272 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -96.43 63.68 2.15 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.368 -0.605 . . . . 1.39 109.368 178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.84 -22.25 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.019 0 CA-C-N 116.062 -0.517 . . . . 0.73 112.367 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -85.61 -15.1 43.62 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.97 0.359 . . . . 1.44 111.97 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 60.89 73.75 0.47 Allowed 'General case' 0 C--N 1.361 1.078 0 C-N-CA 123.822 0.849 . . . . 1.96 111.831 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -149.12 15.96 0.93 Allowed 'General case' 0 CA--C 1.556 1.186 0 CA-C-N 115.86 -0.609 . . . . 1.41 112.39 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.6 m 55.69 25.74 8.56 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 113.12 0.785 . . . . 1.31 113.12 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -123.35 152.45 41.48 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 122.711 0.404 . . . . 2.42 110.723 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.4 tp -128.87 55.17 1.74 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.901 -0.59 . . . . 0.95 110.889 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -58.8 159.01 7.3 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.312 0.645 . . . . 1.89 110.717 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -28.05 66.53 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.524 0.602 . . . . 1.2 112.415 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -71.55 -24.79 62.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 122.512 0.325 . . . . 0.98 110.537 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.63 -32.32 10.8 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.708 0.803 . . . . 1.03 110.778 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.592 ' HA ' HD22 ' A' ' 63' ' ' LEU . 19.5 t80 -76.92 -15.2 59.75 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.789 0.836 . . . . 0.69 111.31 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -22.89 42.26 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 123.606 0.762 . . . . 1.62 112.033 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' HB2' HD23 ' A' ' 63' ' ' LEU . 17.0 mmm180 -64.02 -33.81 76.58 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 122.433 0.293 . . . . 1.96 110.95 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.741 ' HB2' HD21 ' A' ' 63' ' ' LEU . 8.6 tp -86.82 -36.07 18.72 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 119.504 -0.284 . . . . 0.53 110.74 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.6 mm -55.2 -38.76 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 122.445 0.298 . . . . 0.61 110.257 178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.28 -41.07 94.86 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 111.125 -0.79 . . . . 0.47 111.125 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.6 -26.07 64.27 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 122.652 0.381 . . . . 0.86 110.795 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.83 -48.43 76.83 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 109.591 -0.522 . . . . 0.67 109.591 177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -83.0 -12.53 57.19 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.124 0.569 . . . . 0.55 112.522 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -90.91 -43.72 9.82 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.632 0.373 . . . . 0.96 110.829 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -74.73 -11.24 60.12 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 112.411 0.523 . . . . 1.65 112.411 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.613 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -63.58 -31.3 52.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.097 0 C-N-CA 122.507 0.323 . . . . 0.66 111.427 179.161 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 -39.83 3.15 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.316 0.858 . . . . 1.74 113.316 -178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -111.77 40.24 2.18 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.237 1.199 . . . . 1.52 114.237 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -68.1 -39.35 82.86 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 109.718 -0.475 . . . . 1.87 109.718 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -140.34 57.87 1.58 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.356 -0.979 . . . . 1.53 108.356 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -62.8 -25.24 68.14 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 113.263 0.838 . . . . 1.81 113.263 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -80.12 -36.23 35.58 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 111.801 0.297 . . . . 1.24 111.801 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.1 tptp -80.49 -45.99 16.6 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 122.838 0.455 . . . . 1.73 111.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.7 pt -125.24 154.37 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 123.22 0.608 . . . . 1.06 110.957 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -146.57 26.12 1.17 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 112.846 0.684 . . . . 2.26 112.846 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -169.73 93.04 0.24 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.488 0.315 . . . . 1.74 111.481 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.4 tttp . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.992 0.425 . . . . 1.71 110.407 179.164 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 121.306 0.574 . . . . 1.75 110.343 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.83 155.46 39.25 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 115.597 -0.729 . . . . 0.78 111.592 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.32 103.83 13.83 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.765 0.426 . . . . 0.69 111.336 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' B' ' 5' ' ' PRO . 42.6 tt0 -112.63 137.16 21.61 Favored Pre-proline 0 CA--C 1.552 1.052 0 C-N-CA 122.688 0.395 . . . . 1.1 111.338 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 4' ' ' GLU . 15.0 Cg_exo -68.14 129.93 20.39 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 122.658 2.238 . . . . 0.83 112.85 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 53.7 mt -124.77 -107.39 0.33 Allowed 'General case' 0 CA--C 1.556 1.184 0 CA-C-O 118.966 -0.54 . . . . 1.24 110.345 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.6 p -93.32 -177.41 4.43 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-N 118.95 0.795 . . . . 1.06 110.357 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.24 -50.89 68.43 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 112.621 0.6 . . . . 1.51 112.621 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 41' ' ' LEU . 77.7 mt -70.48 -36.54 73.9 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 111.742 0.275 . . . . 0.65 111.742 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -70.45 -34.12 72.08 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 122.575 0.35 . . . . 0.95 111.287 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -70.57 -26.7 63.66 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 122.317 0.247 . . . . 0.85 111.038 178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -54.47 -59.83 4.16 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 122.695 0.398 . . . . 0.56 111.911 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.546 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.8 pp -71.92 -30.09 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 O-C-N 123.021 0.201 . . . . 0.53 111.399 179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.544 ' N ' HD12 ' B' ' 13' ' ' ILE . 8.1 tm-20 -65.98 -34.11 77.35 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.161 0.584 . . . . 1.0 111.346 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 40.7 m -68.78 -29.47 67.85 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 122.372 0.269 . . . . 0.88 111.308 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.79 -33.75 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 N-CA-C 110.072 -0.344 . . . . 0.56 110.072 178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' PHE . 41.0 t -74.64 -56.74 8.08 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 C-N-CA 122.709 0.404 . . . . 0.97 110.196 179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -52.66 -33.73 48.4 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.213 1.19 . . . . 0.67 114.213 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -77.53 -37.66 50.42 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 113.232 0.827 . . . . 0.69 113.232 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' B' ' 41' ' ' LEU . 9.1 t80 -122.94 27.05 7.86 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.998 1.11 . . . . 1.02 113.998 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' B' ' 17' ' ' VAL . 37.2 t80 -86.25 -31.45 21.65 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 109.644 -0.502 . . . . 3.08 109.644 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.0 m -58.64 -41.11 85.25 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 122.648 0.379 . . . . 1.37 110.3 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -76.9 -32.5 57.47 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 123.283 0.364 . . . . 1.54 110.25 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.37 73.8 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 122.925 0.49 . . . . 0.85 112.198 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -94.63 27.97 2.83 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.271 0.228 . . . . 1.73 111.541 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -91.12 -43.04 10.13 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.067 0.547 . . . . 1.68 110.085 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -101.07 -166.19 1.28 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 109.088 -0.708 . . . . 1.45 109.088 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.64 150.45 26.77 Favored Glycine 0 C--N 1.354 1.583 0 CA-C-N 118.257 0.48 . . . . 0.86 113.265 179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? 64.77 134.07 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 2.62 111.647 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -78.11 -47.32 18.48 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 112.239 0.459 . . . . 1.11 112.239 -178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.8 60.71 2.97 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 120.831 0.348 . . . . 1.36 110.53 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 97.3 p -158.68 139.09 12.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 112.672 0.619 . . . . 1.13 112.672 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 mp -97.0 125.1 41.19 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 108.365 -0.976 . . . . 0.79 108.365 177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -68.01 166.42 15.89 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 111.953 0.353 . . . . 0.69 111.953 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 11.8 p -55.95 -37.25 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 N-CA-C 112.77 0.656 . . . . 0.71 112.77 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -106.15 50.4 0.78 Allowed 'General case' 0 CA--C 1.549 0.941 0 CA-C-O 121.035 0.445 . . . . 0.83 110.537 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -138.42 -49.51 0.54 Allowed 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.905 0.482 . . . . 1.61 110.814 179.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -68.16 -33.45 74.49 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 110.193 -0.299 . . . . 0.66 110.193 178.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -66.24 -38.8 88.74 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 122.541 0.337 . . . . 0.81 110.32 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -69.6 -35.28 75.17 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 110.035 -0.357 . . . . 0.69 110.035 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.4 HD13 ' CD1' ' B' ' 20' ' ' PHE . 29.8 tp -65.08 -42.46 94.07 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 122.744 0.418 . . . . 0.68 110.554 178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.424 ' HA ' ' HB3' ' B' ' 46' ' ' LEU . 79.9 t -73.06 -25.18 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 O-C-N 123.331 0.394 . . . . 0.48 111.646 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.4 m -112.15 40.45 2.19 Favored 'General case' 0 CA--C 1.553 1.058 0 N-CA-C 112.288 0.477 . . . . 0.83 112.288 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -160.32 -65.53 0.07 Allowed 'General case' 0 N--CA 1.483 1.182 0 O-C-N 121.948 -0.47 . . . . 0.98 111.35 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -106.59 -5.11 18.93 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 112.063 0.394 . . . . 0.73 112.063 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.424 ' HB3' ' HA ' ' B' ' 42' ' ' VAL . 10.9 tp -135.39 42.64 0.78 Allowed Pre-proline 0 CA--C 1.565 1.556 0 N-CA-C 112.031 0.382 . . . . 0.62 112.031 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -80.42 -34.23 0.82 Allowed 'Trans proline' 0 C--N 1.386 2.544 0 C-N-CA 122.589 2.193 . . . . 0.48 114.452 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -75.43 -13.88 60.42 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 112.868 0.692 . . . . 0.81 112.868 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.0 -59.09 2.92 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 117.904 0.32 . . . . 0.88 110.788 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -96.41 112.15 23.99 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 108.597 -0.89 . . . . 0.7 108.597 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -54.82 -35.88 64.39 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 112.986 0.735 . . . . 1.23 112.986 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -91.26 86.79 6.26 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 122.589 0.356 . . . . 1.94 110.158 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 35.8 m -84.95 -22.68 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 112.63 0.604 . . . . 0.6 112.63 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -85.0 -66.65 1.44 Allowed Glycine 0 C--N 1.351 1.406 0 CA-C-O 119.808 -0.44 . . . . 0.67 113.073 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -78.27 88.13 4.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.166 0.483 . . . . 0.92 111.212 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -98.24 -1.17 42.6 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.223 0.609 . . . . 1.24 111.899 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -68.34 -26.48 65.63 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 112.635 0.605 . . . . 0.73 112.635 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.96 -33.45 74.31 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 122.732 0.413 . . . . 1.1 110.613 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -97.26 -30.68 12.84 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.245 0.618 . . . . 1.47 110.826 178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 49.5 ttp -52.6 -46.32 66.92 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.563 0.579 . . . . 0.81 112.563 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -66.31 -36.26 82.49 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 117.636 0.198 . . . . 2.39 111.163 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -69.43 -34.89 75.1 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.728 0.411 . . . . 0.63 110.683 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' B' ' 78' ' ' ARG . 19.6 mt -71.58 -63.8 1.05 Allowed 'General case' 0 C--N 1.356 0.856 0 C-N-CA 122.952 0.501 . . . . 0.69 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -80.74 82.23 6.79 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.969 0.414 . . . . 1.32 110.393 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 9.6 p -88.28 -31.2 5.59 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.111 0 CA-C-N 115.841 -0.618 . . . . 0.72 112.441 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -77.34 -14.38 59.74 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.79 0.663 . . . . 1.38 112.79 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 61.58 59.75 1.78 Allowed 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.664 0.785 . . . . 2.02 111.876 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -121.73 8.86 10.04 Favored 'General case' 0 CA--C 1.555 1.158 0 CA-C-N 115.929 -0.578 . . . . 1.3 111.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.5 t 70.56 -63.86 0.39 Allowed 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 123.899 0.88 . . . . 1.35 111.693 -178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -70.67 120.21 15.95 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.578 0.351 . . . . 2.4 110.197 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tp -80.02 108.13 13.35 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.908 0.483 . . . . 1.13 111.828 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 41.0 tttm -78.39 167.84 20.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 108.804 -0.813 . . . . 1.81 108.804 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -29.5 70.16 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.793 0.724 . . . . 1.23 111.777 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.17 -30.92 69.23 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 109.717 -0.475 . . . . 0.99 109.717 176.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.15 -36.2 27.65 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.979 -0.378 . . . . 0.93 109.979 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -72.81 -16.35 61.62 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.454 0.701 . . . . 0.71 111.213 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -52.86 -31.03 37.18 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.939 1.296 . . . . 1.54 112.82 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.637 ' HB2' HD23 ' B' ' 63' ' ' LEU . 10.2 mmm-85 -68.1 -31.25 70.73 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 112.019 0.378 . . . . 2.15 112.019 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' B' ' 63' ' ' LEU . 8.8 tp -80.87 -36.74 30.94 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 109.645 -0.502 . . . . 0.49 109.645 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 22.2 mm -52.31 -36.82 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 123.018 0.527 . . . . 0.56 110.386 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.55 57.05 Favored Glycine 0 C--N 1.355 1.627 0 N-CA-C 111.749 -0.54 . . . . 0.42 111.749 177.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -73.68 -26.37 60.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.901 0.481 . . . . 0.91 111.565 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 4.4 mp -57.34 -50.68 72.17 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.188 0.595 . . . . 0.69 111.291 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.559 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -82.62 -18.7 40.24 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 112.268 0.47 . . . . 0.55 112.268 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -78.87 -31.49 45.58 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.903 0.481 . . . . 1.1 111.726 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -96.81 -5.15 39.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.025 0.75 . . . . 1.68 113.025 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.43 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -80.1 -45.46 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 118.571 0.623 . . . . 0.63 110.363 178.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.06 -42.01 33.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 122.46 0.304 . . . . 1.64 111.711 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -145.18 84.89 1.72 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.486 0.55 . . . . 1.65 112.486 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -38.81 65.0 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.982 -0.377 . . . . 2.03 109.982 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 48.7 mttm -121.99 78.79 1.51 Allowed 'General case' 0 C--N 1.35 0.616 0 N-CA-C 108.248 -1.019 . . . . 1.36 108.248 177.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -75.92 68.15 2.39 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.431 0.634 . . . . 1.72 112.029 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 9.9 tp -175.28 -46.53 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 115.326 -0.852 . . . . 1.27 110.467 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.94 -54.91 4.21 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.412 0.685 . . . . 1.61 111.5 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 18.9 pt -129.27 137.57 56.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.69 0.396 . . . . 1.04 111.351 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -159.89 62.65 0.36 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 112.343 0.498 . . . . 2.42 112.343 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -171.01 47.73 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.975 0.51 . . . . 1.86 111.7 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 52.9 tttp . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.163 -0.922 . . . . 1.85 110.884 -179.836 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . 0.46 ' OAV' ' NAB' ' A' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . 0.401 ' OAV' ' NAB' ' B' ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 113.074 0.768 . . . . 2.71 113.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.62 152.39 30.42 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.976 0.353 . . . . 1.02 111.098 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.5 111.83 22.28 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.512 0.325 . . . . 0.7 111.266 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -99.95 139.59 20.89 Favored Pre-proline 0 CA--C 1.553 1.074 0 C-N-CA 122.96 0.504 . . . . 1.02 110.569 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.27 137.3 79.85 Favored 'Trans proline' 0 C--N 1.383 2.392 0 C-N-CA 122.809 2.339 . . . . 0.74 114.063 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -137.68 -149.14 0.29 Allowed 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 123.387 0.675 . . . . 1.19 110.82 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 3.2 m -59.33 162.58 4.57 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 119.069 0.85 . . . . 0.98 111.546 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -44.24 -52.01 7.81 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 113.535 0.939 . . . . 1.42 113.535 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.9 mt -71.48 -36.45 71.15 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 117.907 0.321 . . . . 0.65 111.823 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.24 -31.75 66.08 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.401 0.28 . . . . 1.03 111.234 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -78.8 -22.1 46.79 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.205 0.602 . . . . 0.81 111.752 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -61.4 -54.03 48.93 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 118.093 0.406 . . . . 0.63 110.347 179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.432 HD13 ' HA ' ' B' ' 84' ' ' ALA . 2.7 pp -70.18 -21.69 23.76 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 111.713 0.264 . . . . 0.56 111.713 177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -75.03 -39.12 61.24 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.047 0.539 . . . . 1.0 111.302 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.7 m -63.87 -33.61 76.09 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.635 0.374 . . . . 0.77 111.384 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.56 -33.68 63.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 122.637 0.375 . . . . 0.5 110.142 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.6 t -74.49 -59.42 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.011 0.524 . . . . 0.95 110.565 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.6 p -51.18 -40.14 57.97 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.574 1.324 . . . . 0.62 114.574 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.3 m -72.14 -56.87 4.83 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.189 0.811 . . . . 0.66 113.189 -177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -79.08 -20.8 47.9 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.919 1.081 . . . . 0.95 113.919 -177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -71.03 -21.62 62.25 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 119.016 0.825 . . . . 3.17 112.417 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 m -68.37 -33.51 74.4 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.184 0.447 . . . . 1.37 110.574 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -96.63 -35.34 11.09 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 123.294 0.637 . . . . 1.55 111.356 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.61 53.81 1.92 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.867 0.467 . . . . 0.83 112.143 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -134.18 17.03 3.76 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 122.73 0.412 . . . . 1.55 111.677 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -112.47 -45.81 3.22 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.582 0.353 . . . . 1.8 111.412 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -90.82 97.78 11.38 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.592 0.357 . . . . 1.59 111.8 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.26 81.62 0.66 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 114.337 0.495 . . . . 0.92 114.337 178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 58.31 173.8 0.06 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.929 0.892 . . . . 2.6 113.229 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -92.52 -43.49 9.13 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.072 0.549 . . . . 1.22 111.106 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.14 -30.91 70.15 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.37 0.419 . . . . 1.43 111.883 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.7 t -90.93 150.26 21.57 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 120.742 0.306 . . . . 1.09 111.476 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.6 mp -97.1 168.84 10.21 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 115.882 -0.599 . . . . 0.76 110.575 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.5 t -95.44 166.67 11.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.643 0.377 . . . . 0.68 111.749 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.5 -37.24 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.014 0 CA-C-N 116.287 -0.415 . . . . 0.64 111.244 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.41 -43.68 31.81 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 111.723 0.268 . . . . 0.82 111.723 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -63.32 -28.87 70.3 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.417 0.287 . . . . 1.54 111.626 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -66.95 -37.42 84.25 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 122.508 0.323 . . . . 0.65 110.288 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -66.33 -36.0 81.8 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.867 0.467 . . . . 0.87 111.156 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -80.18 -30.34 38.76 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.466 0.306 . . . . 0.73 111.494 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.72 -46.15 86.7 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.59 0.356 . . . . 0.65 110.823 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -72.42 -26.96 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 C-N-CA 122.652 0.381 . . . . 0.45 111.656 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -102.79 32.6 3.58 Favored 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 112.223 0.453 . . . . 0.8 112.223 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -160.61 -63.71 0.06 Allowed 'General case' 0 N--CA 1.482 1.132 0 O-C-N 121.738 -0.601 . . . . 1.1 112.36 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -100.07 -3.51 31.8 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 113.115 0.783 . . . . 0.84 113.115 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.409 ' N ' ' HD3' ' A' ' 47' ' ' PRO . 1.4 tt -142.07 57.35 6.59 Favored Pre-proline 0 CA--C 1.561 1.399 0 CA-C-N 118.014 0.37 . . . . 0.67 110.171 179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 46' ' ' LEU . 18.2 Cg_endo -92.23 -63.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.845 2.364 . . . . 0.52 115.184 -178.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -49.71 -33.16 15.17 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.962 1.097 . . . . 0.85 113.962 -178.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD13 HG12 ' A' ' 87' ' ' ILE . 11.1 tp -68.39 -54.23 18.61 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.299 0.24 . . . . 0.87 110.912 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.95 103.73 15.6 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.585 -0.894 . . . . 0.73 108.585 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -50.13 -37.19 33.15 Favored 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 114.335 1.235 . . . . 1.32 114.335 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -95.88 96.96 9.28 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 122.394 0.277 . . . . 2.08 111.64 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.3 m -93.73 -1.13 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 N-CA-C 111.753 0.279 . . . . 0.71 111.753 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -116.89 -33.41 1.39 Allowed Glycine 0 C--N 1.355 1.632 0 CA-C-O 119.597 -0.557 . . . . 0.83 112.418 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.5 t -87.06 74.27 9.7 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 117.316 0.558 . . . . 0.85 110.782 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -105.78 49.16 0.81 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 122.774 0.43 . . . . 1.22 110.288 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -109.33 -43.11 4.19 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 116.383 -0.371 . . . . 0.77 111.232 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -72.34 -28.18 62.88 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 112.39 0.515 . . . . 1.09 112.39 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -89.79 -39.75 12.91 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 111.993 0.368 . . . . 1.55 111.993 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.1 ttp -60.26 -39.11 85.62 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.399 0.518 . . . . 0.84 112.399 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -68.38 -40.25 81.45 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.014 0.126 . . . . 2.56 111.17 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -69.65 -28.8 66.2 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 122.654 0.382 . . . . 0.61 111.619 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 76' ' ' TYR . 43.1 mt -72.37 -64.68 0.9 Allowed 'General case' 0 C--N 1.356 0.874 0 C-N-CA 122.425 0.29 . . . . 0.68 110.393 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -83.8 73.89 10.25 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-O 120.808 0.337 . . . . 1.39 110.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.39 -26.17 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 116.179 -0.464 . . . . 0.73 112.053 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -71.31 -23.38 61.93 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 122.51 0.324 . . . . 1.44 111.825 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 63.53 71.6 0.49 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 123.719 0.807 . . . . 1.96 111.369 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -144.08 12.15 1.59 Allowed 'General case' 0 CA--C 1.557 1.229 0 CA-C-N 115.844 -0.616 . . . . 1.41 111.935 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 t 58.04 29.79 18.28 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 123.497 0.719 . . . . 1.31 112.459 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -142.23 114.41 8.24 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.024 0.53 . . . . 2.42 109.98 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 mp -91.16 85.46 5.89 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.678 0.275 . . . . 0.95 111.074 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -68.27 162.39 25.18 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 108.15 -1.056 . . . . 1.89 108.15 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -22.74 65.68 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 119.558 1.072 . . . . 1.2 112.191 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -72.84 -32.52 65.54 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 109.674 -0.491 . . . . 0.98 109.674 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -87.25 -42.01 13.27 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.592 0.757 . . . . 1.03 110.224 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.562 ' HA ' HD22 ' A' ' 63' ' ' LEU . 24.7 t80 -62.44 -20.73 64.81 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 123.968 0.907 . . . . 0.69 110.967 177.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 25.4 t90 -39.79 -37.93 0.6 Allowed 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 125.92 1.688 . . . . 1.62 113.64 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' HB2' HD23 ' A' ' 63' ' ' LEU . 3.1 mmm180 -61.36 -23.85 66.06 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 113.402 0.89 . . . . 1.96 113.402 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' HB2' HD21 ' A' ' 63' ' ' LEU . 5.9 tp -90.41 -34.87 15.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 118.29 0.496 . . . . 0.53 111.291 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.0 mm -64.62 -37.12 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 N-CA-C 110.002 -0.37 . . . . 0.61 110.002 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -68.74 -34.44 77.95 Favored Glycine 0 C--N 1.354 1.577 0 N-CA-C 111.713 -0.555 . . . . 0.47 111.713 176.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -79.31 -21.32 46.12 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.733 0.413 . . . . 0.86 111.086 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -52.02 66.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.197 0.599 . . . . 0.67 111.18 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.48 ' HA ' HD13 ' B' ' 13' ' ' ILE . . . -77.04 -22.7 52.55 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 112.069 0.396 . . . . 0.55 112.069 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -73.82 -44.68 55.02 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.946 -0.39 . . . . 0.96 109.946 178.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -72.64 -17.52 61.66 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 112.395 0.517 . . . . 1.65 112.395 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.472 HG12 HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.73 -32.65 58.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 CA-C-N 118.184 0.447 . . . . 0.66 111.525 178.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 ptt180 -113.07 -37.84 4.66 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.827 0.677 . . . . 1.74 112.827 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -122.69 72.74 1.09 Allowed 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 120.735 0.302 . . . . 1.52 111.788 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.1 ptmm? -91.17 -42.6 10.35 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.859 -0.423 . . . . 1.87 109.859 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -127.62 61.31 1.41 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.535 0.734 . . . . 1.53 109.239 178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -76.37 73.49 3.14 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-O 121.093 0.473 . . . . 1.81 111.387 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 tp -166.67 -54.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 115.912 -0.585 . . . . 1.24 110.888 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -95.86 -37.06 10.88 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 122.975 0.51 . . . . 1.73 111.427 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 29.2 pt -129.95 143.14 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 122.549 0.339 . . . . 1.06 111.67 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -152.22 51.48 0.78 Allowed 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.009 0.433 . . . . 2.26 111.43 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -159.31 84.48 0.78 Allowed 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.222 -0.444 . . . . 1.74 111.234 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 56.5 tttp . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 116.411 -0.359 . . . . 1.71 110.096 179.515 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 112.002 0.371 . . . . 1.75 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.76 149.48 22.28 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 122.801 0.441 . . . . 0.78 111.138 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.47 122.37 33.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.639 -0.255 . . . . 0.69 111.025 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -116.76 132.98 23.11 Favored Pre-proline 0 CA--C 1.547 0.83 0 CA-C-O 119.318 -0.373 . . . . 1.1 110.436 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -60.68 141.51 95.26 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 123.02 2.48 . . . . 0.83 113.496 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.5 mt -133.7 -97.81 0.27 Allowed 'General case' 0 CA--C 1.559 1.318 0 CA-C-O 119.243 -0.408 . . . . 1.24 111.277 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 5.9 m -95.79 162.68 13.49 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 118.445 0.566 . . . . 1.06 109.652 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -51.98 -42.19 62.75 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.925 0.713 . . . . 1.51 112.925 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.08 -40.27 46.71 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.694 0.225 . . . . 0.65 111.267 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.45 -26.26 62.65 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 122.311 0.244 . . . . 0.95 111.145 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -77.67 -24.6 49.3 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.233 0.613 . . . . 0.85 111.827 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.0 m -56.5 -57.16 13.53 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.555 0.342 . . . . 0.56 110.844 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.48 HD13 ' HA ' ' A' ' 84' ' ' ALA . 2.7 pp -71.94 -21.34 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 123.03 0.207 . . . . 0.53 111.447 178.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.474 ' N ' HD12 ' B' ' 13' ' ' ILE . 3.4 tm-20 -68.36 -41.63 80.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.225 0.61 . . . . 1.0 110.553 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -66.49 -33.3 75.38 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.28 0.363 . . . . 0.88 110.993 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.08 -32.94 48.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 122.85 0.46 . . . . 0.56 110.554 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 61.4 t -75.73 -60.01 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 122.84 0.456 . . . . 0.97 110.728 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.3 p -55.5 -34.41 64.59 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 113.859 1.059 . . . . 0.67 113.859 -178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 26.9 m -66.71 -46.41 75.62 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 112.018 0.377 . . . . 0.69 112.018 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -111.31 30.48 6.89 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.167 0.803 . . . . 1.02 113.167 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -82.28 -35.05 28.42 Favored 'General case' 0 N--CA 1.485 1.322 0 O-C-N 121.936 -0.477 . . . . 3.08 110.289 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.2 m -67.17 -34.24 77.11 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.419 0.688 . . . . 1.37 111.449 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -83.74 -33.32 25.1 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 122.602 0.361 . . . . 1.54 111.106 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.3 65.74 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 112.47 0.544 . . . . 0.85 112.47 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -78.35 -13.42 59.85 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.114 0.783 . . . . 1.73 113.114 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -64.89 -35.92 82.7 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 117.846 0.294 . . . . 1.68 111.789 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -106.5 -177.75 3.45 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.846 0.459 . . . . 1.45 110.881 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.44 125.75 0.94 Allowed Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.738 1.055 . . . . 0.86 115.738 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 64.87 140.41 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.25 1.02 . . . . 2.62 112.511 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -73.2 -42.83 62.23 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 116.078 -0.51 . . . . 1.11 111.531 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.18 50.85 1.42 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.045 0.45 . . . . 1.36 110.471 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.4 t -159.12 131.04 6.47 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 116.319 -0.401 . . . . 1.13 111.488 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -84.36 168.46 15.57 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.0 0.52 . . . . 0.79 110.875 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -102.04 166.24 10.73 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.558 0.343 . . . . 0.69 111.042 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 9.1 p -75.3 -24.21 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.252 0 N-CA-C 112.445 0.535 . . . . 0.71 112.445 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -98.51 -32.8 11.28 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.686 0.395 . . . . 0.83 111.926 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -75.4 -31.55 60.47 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.992 0.738 . . . . 1.61 112.992 -178.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -70.26 -35.51 73.83 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.251 0.478 . . . . 0.66 110.405 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 59.5 tttp -64.29 -37.16 86.52 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.234 0.614 . . . . 0.81 111.242 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.11 -31.91 72.69 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 122.775 0.43 . . . . 0.69 111.008 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 17.2 tp -71.32 -32.65 68.84 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.81 0.444 . . . . 0.68 111.85 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.46 HG13 HD12 ' B' ' 50' ' ' LEU . 51.5 t -77.73 -28.16 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-O 119.465 -0.303 . . . . 0.48 111.474 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -99.03 2.81 46.57 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 113.023 0.749 . . . . 0.83 113.023 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -129.42 -59.04 1.1 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 112.685 0.624 . . . . 0.98 112.685 -179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.36 -8.65 21.87 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 113.847 1.054 . . . . 0.73 113.847 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.412 ' N ' ' HD3' ' B' ' 47' ' ' PRO . 0.8 OUTLIER -139.14 43.54 0.67 Allowed Pre-proline 0 CA--C 1.566 1.589 0 CA-C-N 118.374 0.534 . . . . 0.62 112.204 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' B' ' 46' ' ' LEU . 74.5 Cg_endo -84.46 -32.35 0.38 Allowed 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.368 2.045 . . . . 0.48 114.674 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -68.04 -33.28 74.29 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 111.991 0.367 . . . . 0.81 111.991 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.429 HD13 HG12 ' B' ' 87' ' ' ILE . 28.1 tp -69.83 -62.31 1.43 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.284 0.234 . . . . 0.88 111.385 -179.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.46 HD12 HG13 ' B' ' 42' ' ' VAL . 67.3 mt -85.6 110.08 19.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 110.113 -0.329 . . . . 0.7 110.113 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -52.28 -36.52 53.1 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.227 0.825 . . . . 1.23 113.227 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -94.77 101.65 13.49 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.479 0.312 . . . . 1.94 110.771 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 31.4 m -97.96 -27.58 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 N-CA-C 112.272 0.471 . . . . 0.6 112.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -87.75 -57.37 1.95 Allowed Glycine 0 C--N 1.354 1.56 0 CA-C-O 120.024 -0.32 . . . . 0.67 113.081 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -83.97 91.22 7.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 122.568 0.347 . . . . 0.92 111.188 -179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.02 8.14 36.59 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 116.281 -0.418 . . . . 1.24 111.435 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -66.08 -27.55 68.16 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 118.088 0.404 . . . . 0.73 111.691 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.3 -33.53 75.72 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.676 0.39 . . . . 1.1 110.764 178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -98.29 -38.89 9.09 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 122.968 0.507 . . . . 1.47 111.762 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' MET . . . . . . . . . . . . . 44.7 ttp -57.78 -42.22 83.65 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 112.969 0.729 . . . . 0.81 112.969 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -62.44 -36.67 83.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.122 0.169 . . . . 2.39 111.4 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -81.58 -32.89 31.9 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 123.307 0.379 . . . . 0.63 111.006 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' B' ' 79' ' ' LEU . 22.8 mt -61.91 -55.75 26.42 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.116 0.566 . . . . 0.69 111.485 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -87.85 71.83 9.45 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 109.262 -0.644 . . . . 1.32 109.262 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.98 -16.52 10.84 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.146 0 CA-C-N 115.603 -0.726 . . . . 0.72 112.706 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -92.85 -7.78 45.33 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 112.571 0.582 . . . . 1.38 112.571 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 57.65 38.1 27.59 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 123.318 0.647 . . . . 2.02 111.558 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -113.92 -2.88 13.47 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.974 0.731 . . . . 1.3 112.974 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.5 t 64.85 23.29 12.63 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 123.356 0.662 . . . . 1.35 112.004 -178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -126.18 116.02 20.67 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.118 0.567 . . . . 2.4 109.508 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mp -94.76 70.03 3.44 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 120.998 0.428 . . . . 1.13 111.921 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -65.29 161.22 19.96 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 107.942 -1.132 . . . . 1.81 107.942 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' A' ' 84' ' ' ALA . 0.6 OUTLIER -55.05 -24.05 22.98 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 119.528 1.058 . . . . 1.23 113.105 -179.571 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -74.66 -41.99 59.31 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 109.818 -0.438 . . . . 0.99 109.818 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -78.06 -33.37 50.9 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.294 0.638 . . . . 0.93 110.265 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -75.68 -11.09 59.93 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 124.047 0.939 . . . . 0.71 111.626 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -47.15 -37.24 9.63 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.986 1.314 . . . . 1.54 113.933 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 86.3 mmt-85 -58.88 -42.36 89.32 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.307 0.854 . . . . 2.15 113.307 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.436 ' HB2' HD21 ' B' ' 63' ' ' LEU . 15.6 tp -78.39 -23.92 46.56 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 111.961 0.356 . . . . 0.49 111.961 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.29 -38.88 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 122.546 0.338 . . . . 0.56 111.104 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.83 91.92 Favored Glycine 0 C--N 1.355 1.618 0 N-CA-C 112.028 -0.429 . . . . 0.42 112.028 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -71.73 -26.08 62.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.065 0.546 . . . . 0.91 110.988 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.18 -52.89 63.77 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.041 0.536 . . . . 0.69 111.024 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.432 ' HA ' HD13 ' A' ' 13' ' ' ILE . . . -83.15 -16.31 47.23 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.382 0.882 . . . . 0.55 113.382 -179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -80.44 -40.07 26.99 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 117.998 0.363 . . . . 1.1 111.35 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.27 -18.02 55.87 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.491 0.923 . . . . 1.68 113.491 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ILE . . . . . 0.468 HD13 ' O ' ' B' ' 87' ' ' ILE . 0.2 OUTLIER -61.03 -40.31 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 CA-C-N 118.416 0.553 . . . . 0.63 111.912 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 17.6 ptt-85 -93.11 -35.51 13.16 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 111.606 0.224 . . . . 1.64 111.606 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -149.81 92.17 1.88 Allowed 'General case' 0 C--N 1.351 0.671 0 N-CA-C 111.971 0.36 . . . . 1.65 111.971 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -34.59 25.75 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 109.894 -0.41 . . . . 2.03 109.894 177.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -126.7 84.61 2.28 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 108.57 -0.9 . . . . 1.36 108.57 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -79.67 64.73 4.63 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.466 0.65 . . . . 1.72 112.005 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 8.5 tp -174.29 -49.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 115.188 -0.914 . . . . 1.27 109.975 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.5 -50.25 11.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.301 0.64 . . . . 1.61 110.764 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.3 pt -116.97 138.74 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.179 0.591 . . . . 1.04 110.367 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -137.24 26.15 2.92 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 112.641 0.608 . . . . 2.42 112.641 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -166.25 97.16 0.6 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.427 0.291 . . . . 1.86 111.322 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 54.7 tttp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.939 -1.029 . . . . 1.85 110.69 179.578 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ANW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_