data_2lb9_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 2lb9 _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 ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 49.5 t0 -48.5 -34.09 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.652 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.73 -48.0 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.45 -46.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.616 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.547 ' O ' ' OG1' ' A' ' 38' ' ' THR . 38.0 mt -57.93 -31.38 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.591 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -65.91 -41.63 91.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.747 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -26.58 60.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.74 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.547 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 43.7 p -66.07 -37.98 87.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.617 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -24.74 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.777 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.2 -36.77 66.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.2 -37.37 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.761 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.67 -57.73 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.69 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.1 ptm180 -49.56 -42.76 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -58.49 -50.41 73.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.66 -43.21 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.529 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.63 -11.91 30.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 53.74 25.42 29.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 78.7 m -73.85 137.56 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 1.0 110.584 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.1 p30 -54.1 -40.65 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.466 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.578 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 39.1 ttt180 -144.32 128.92 18.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.881 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.46 132.83 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.971 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.64 152.5 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 1.0 111.23 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.89 138.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.928 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 165' ' ' LEU . 19.4 t80 -118.73 117.51 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 1.0 111.194 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -92.28 130.76 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.063 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 72.1 t80 -97.48 126.71 42.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 1.0 110.89 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 6.9 m-20 -94.04 162.16 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.4 -22.94 44.77 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.88 2.387 . . . . 1.0 112.1 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.51 1.69 54.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.582 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.17 -17.27 59.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.3 m-70 -77.72 149.61 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 1.0 110.638 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.491 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.29 159.68 24.82 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.5 p -135.02 157.96 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 1.0 110.547 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.2 p -95.23 112.56 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.649 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.6 t -108.34 0.33 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.407 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.39 129.74 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.527 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' OE2' ' NH2' ' A' ' 50' ' ' ARG . 34.4 tt0 -162.1 142.09 10.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.57 142.52 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.602 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.6 ptt-85 -125.74 142.42 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.665 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.75 122.6 7.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 58.37 36.45 83.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 42.43 18.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 1.0 110.55 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' GLY . 10.8 tpp180 -56.61 -44.73 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.555 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.58 121.14 43.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.597 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.517 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 77.6 Cg_exo -49.76 166.88 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.81 2.34 . . . . 1.0 112.004 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.7 t -96.41 141.12 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.664 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.448 ' HG ' HH22 ' A' ' 50' ' ' ARG . 17.3 mt -117.91 4.72 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.436 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.07 138.04 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.52 -176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.02 -7.17 82.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.774 -0.931 . . . . 1.0 110.774 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.2 143.75 27.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 1.0 110.55 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 m -103.62 131.7 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -100.99 137.71 19.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 39.2 Cg_endo -73.36 131.14 15.96 Favored 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 122.747 2.298 . . . . 1.0 112.137 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' OD1' ' A' ' 86' ' ' ASP . . . -56.32 -32.83 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.809 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.5 -18.66 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 37.2 p-10 -63.87 -23.6 67.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 1.0 110.461 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 20.2 mt -138.33 94.2 10.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.605 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -34.51 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.849 2.366 . . . . 1.0 112.075 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -171.4 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -56.94 -43.95 82.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.602 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.3 -38.85 75.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.769 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -63.18 -33.32 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.03 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.21 -36.37 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.513 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -68.33 -30.74 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -93.2 -21.36 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.837 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.616 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 66.3 mt -92.65 -49.82 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.136 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -10.99 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.131 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.616 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 4.1 mp0 43.19 57.36 3.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.838 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.4 p -158.86 121.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -168.49 130.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.444 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.2 t -146.18 151.9 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.575 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.52 128.4 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.436 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 11.3 t -85.44 172.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.445 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 107' ' ' GLU . 65.4 t0 -52.75 116.81 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.527 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -48.97 -14.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.5 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 105' ' ' ASP . 82.8 tt0 -67.73 -41.86 82.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.456 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -65.08 -2.24 2.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.558 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.2 pt20 39.49 68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.672 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 p -89.69 124.96 35.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.246 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -111.78 141.32 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 1.0 110.987 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.891 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.899 0.38 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 141.47 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 123.001 2.467 . . . . 1.0 112.27 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 136' ' ' ASP . 27.0 m -115.07 126.2 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.343 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -38.34 154.78 0.13 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.783 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.91 -38.12 93.57 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.003 2.469 . . . . 1.0 111.744 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.555 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -56.79 -30.55 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.591 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.421 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 1.6 t60 -86.58 -30.93 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.183 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.6 t -57.26 -52.2 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.258 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -60.99 -45.0 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -46.71 -43.69 18.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.336 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.57 -44.81 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.416 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -54.64 -45.01 73.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -62.78 -15.93 55.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.42 -3.03 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.11 23.08 66.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.4 t -107.79 140.16 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.631 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.45 -51.37 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.232 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.6 m -130.14 115.07 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 168' ' ' SER . 18.2 t -130.89 143.82 51.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 1.0 110.979 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 8.7 mp -102.77 131.74 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.043 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.0 t -111.04 104.33 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.052 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 21.0 t -107.48 122.78 40.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.005 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.11 152.93 24.59 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.929 2.42 . . . . 1.0 112.815 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.7 108.88 15.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.093 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.4 ptm -136.29 165.49 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 1.0 110.622 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.461 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 78.2 t60 -144.89 122.3 11.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.565 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 60.9 t60 76.3 -113.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.525 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -117.63 -4.26 11.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.498 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -106.8 158.66 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.588 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 27.9 tp -107.7 129.11 55.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -99.3 -42.68 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.705 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.28 -176.48 30.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.244 -0.743 . . . . 1.0 111.244 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -139.06 134.02 32.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.353 . . . . 1.0 110.721 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 4.7 tp -102.88 154.57 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.219 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.52 140.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 1.0 111.026 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' A' ' 151' ' ' SER . 48.3 m -118.71 136.17 54.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.181 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.7 m-70 -109.15 126.57 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 1.0 111.044 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.467 ' NE2' ' OG1' ' A' ' 48' ' ' THR . 74.3 m80 -122.83 123.99 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.37 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 172' ' ' GLU . . . -83.46 35.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.628 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 171' ' ' ALA . 1.3 pm0 -173.29 149.87 1.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.553 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.05 138.18 51.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.832 2.355 . . . . 1.0 112.186 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -167.46 93.28 0.68 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 158.19 8.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.845 2.363 . . . . 1.0 112.239 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -110.14 148.23 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.413 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 181' ' ' LEU . 46.3 m -107.33 154.13 21.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.628 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -53.55 -41.82 66.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.385 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -53.83 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.366 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.21 -31.54 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.383 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 177' ' ' SER . 58.3 tp -61.97 -39.5 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.234 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 186' ' ' LEU . 48.8 tt0 -65.2 -47.53 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.258 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.0 t -46.19 -54.32 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.101 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 185' ' ' GLN . 6.4 p -76.44 -52.56 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.189 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.426 ' N ' ' CG1' ' A' ' 184' ' ' VAL . 56.5 tp60 -52.3 -40.1 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 1.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 182' ' ' GLN . 34.2 tp -74.44 -47.11 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.8 tp -49.51 -43.33 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.826 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.02 -38.67 89.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.768 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 190' ' ' GLN . 1.9 mp0 -67.51 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.888 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.61 -47.58 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.069 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.03 -33.64 57.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.982 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.73 -33.93 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.068 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.26 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.77 -34.46 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.187 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.4 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -74.98 -54.24 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.258 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.508 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 1.4 pt20 -63.53 -41.46 98.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.222 -176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.2 -33.63 75.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.303 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -53.54 -43.96 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.407 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.2 mt -48.61 -35.78 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.443 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -56.68 -61.41 2.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.519 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.526 179.687 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 1.0 110.591 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -52.32 -32.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.673 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -50.44 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.692 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 34' ' ' ILE . 96.7 mt -57.3 -47.68 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.627 ' CD1' HH21 ' A' ' 55' ' ' ARG . 41.5 mt -56.44 -32.11 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.593 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -62.54 -41.93 99.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.789 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.09 -26.74 59.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.787 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 75.0 p -67.75 -37.64 82.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.704 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.3 p -68.24 -26.26 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.702 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.17 -36.25 40.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.31 -53.24 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.691 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 43' ' ' ARG . 21.7 m -52.45 -46.04 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.813 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.778 ' O ' ' N ' ' A' ' 47' ' ' GLY . 45.0 ttp180 -47.76 -46.01 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -47.11 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -63.49 -41.6 98.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -95.94 -11.69 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.516 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.778 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.62 28.19 3.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.8 p -76.27 142.3 41.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 1.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -53.03 -41.51 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.506 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 47.2 ttt85 -143.56 135.31 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.897 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 p -147.49 132.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.006 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -136.61 151.37 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 1.0 111.225 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.9 139.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.851 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 16.8 t80 -122.34 121.0 35.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.871 0.367 . . . . 1.0 111.265 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.627 HH21 ' CD1' ' A' ' 35' ' ' LEU . 38.3 ttm180 -100.27 140.06 35.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.94 139.05 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 1.0 110.857 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.0 m-20 -100.36 152.39 37.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.478 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -41.1 -45.99 5.27 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.831 2.354 . . . . 1.0 112.114 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.5 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.628 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 106.04 -7.23 40.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 70.2 m80 -76.87 148.74 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 1.0 110.599 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.93 160.52 24.62 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.8 p -137.06 160.54 38.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -91.87 108.61 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -107.03 -3.9 10.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.42 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.67 127.6 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.533 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -162.06 141.33 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.412 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.19 138.21 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.647 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' OG ' ' A' ' 76' ' ' SER . 5.3 ptp180 -114.15 139.02 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.93 118.72 6.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 57.09 41.79 92.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 42.0 mp0 40.18 22.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 1.0 110.561 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 55.3 ttm-85 -60.09 -42.41 94.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.542 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.5 145.97 36.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.518 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.534 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 46.7 Cg_endo -68.96 167.88 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.754 2.303 . . . . 1.0 112.125 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.533 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 70.8 m -97.21 127.7 43.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.726 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.6 mt -97.38 12.81 31.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.46 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.4 132.85 55.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.17 -12.35 62.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.0 mt -81.4 143.95 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.311 . . . . 1.0 110.601 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 m -104.98 131.71 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.29 140.08 20.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.445 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.429 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.8 Cg_endo -71.88 137.6 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.141 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -66.24 -33.31 75.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.76 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.6 -15.96 0.55 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 84' ' ' ALA . 49.1 p-10 -67.9 -21.54 65.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.417 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 63.4 mt -133.14 92.37 25.43 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.493 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 67.5 Cg_exo -35.44 -96.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.912 2.408 . . . . 1.0 112.035 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.512 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 83.8 tt0 -167.91 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -53.37 -44.76 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.666 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.11 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.766 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -68.4 -32.73 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.512 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 93.2 mtt-85 -63.24 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.586 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.413 HD13 HH21 ' A' ' 133' ' ' ARG . 7.9 mt -61.64 -34.28 75.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.626 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' A' ' 101' ' ' ARG . 4.5 m-85 -64.96 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.694 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.441 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 51.6 ttp85 -91.78 -20.12 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.78 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 mt -90.87 -52.52 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.182 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.497 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -109.18 -12.01 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.133 -173.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.767 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 42.39 56.12 3.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.878 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.495 ' C ' ' HG3' ' A' ' 101' ' ' ARG . 5.8 m -156.54 109.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.448 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.604 HH21 ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -154.88 122.97 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -178.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.76 151.12 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.573 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.05 127.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.585 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.444 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 6.2 p -85.59 173.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.384 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' H ' ' CG2' ' A' ' 104' ' ' VAL . 67.6 t0 -50.06 117.85 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.79 -18.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.591 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -72.43 -38.06 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.437 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.75 -13.54 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.576 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 54.48 66.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.718 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -97.84 123.51 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.137 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -112.21 142.52 44.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.966 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 134' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.935 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.413 HH21 HD13 ' A' ' 94' ' ' LEU . 38.3 ttt-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.884 0.373 . . . . 1.0 110.615 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.493 ' O ' ' OG ' ' A' ' 112' ' ' SER . 73.5 Cg_exo -49.46 141.29 25.93 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.942 2.428 . . . . 1.0 112.28 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.65 131.52 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.337 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 138' ' ' CYS . 0.8 OUTLIER -42.0 145.35 0.75 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.725 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.27 -12.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.015 2.477 . . . . 1.0 111.75 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -63.15 -40.34 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.621 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -23.79 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.152 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.8 -64.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.214 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.24 -47.19 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.387 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -47.05 -46.16 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.325 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -47.09 49.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.558 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.4 p -64.9 -16.92 63.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.558 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 20.6 mmm -98.29 -3.74 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.54 21.51 66.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.84 141.33 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 1.0 110.622 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.98 -49.05 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.186 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.5 t -130.2 118.77 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.032 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.4 p -132.72 144.21 50.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.374 . . . . 1.0 110.975 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.5 tt -103.76 131.91 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.081 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.603 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 2.8 t -112.72 132.25 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.057 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 166' ' ' LEU . 4.9 t -134.48 124.02 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.061 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . 0.471 ' HD3' ' NE ' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -78.08 149.8 25.76 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.935 2.423 . . . . 1.0 112.762 -175.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.1 mt -112.52 108.11 17.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.162 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.463 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 15.9 ptm -135.3 156.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 1.0 110.677 -174.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -127.43 122.63 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.504 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.693 ' HE2' HE21 ' A' ' 160' ' ' GLN . 68.8 t60 63.12 -104.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.693 HE21 ' HE2' ' A' ' 159' ' ' HIS . 54.6 mt-30 -116.59 -4.74 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.46 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -102.58 149.42 24.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.669 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -103.18 126.77 50.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.372 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -101.7 -43.68 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.686 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.99 -176.69 32.34 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.156 -0.778 . . . . 1.0 111.156 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.3 mp -138.28 136.3 36.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.362 . . . . 1.0 110.67 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 167' ' ' VAL . 8.9 tp -102.58 151.78 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.455 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.6 p -157.58 137.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 1.0 111.069 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.51 131.98 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.106 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 169' ' ' HIS . 6.8 m-70 -104.5 131.33 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 1.0 111.048 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -125.73 127.69 46.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.339 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -86.51 35.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.683 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 67.0 mt-10 -158.56 147.82 14.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.488 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.45 136.38 19.44 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.792 2.328 . . . . 1.0 112.251 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -172.71 130.92 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.416 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.0 166.03 27.38 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 1.0 112.276 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -113.57 148.34 36.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.47 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' SER . . . . . 0.671 ' HG ' ' H ' ' A' ' 180' ' ' GLU . 93.8 p -113.01 153.57 27.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.628 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.37 -37.84 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.421 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -69.6 -54.99 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.386 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.671 ' H ' ' HG ' ' A' ' 177' ' ' SER . 85.2 tt0 -64.64 -35.79 82.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.414 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.63 -38.65 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.312 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 186' ' ' LEU . 49.4 tt0 -60.16 -48.12 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.226 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.5 t -45.05 -52.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.038 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.26 -52.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.16 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -51.97 -34.82 44.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.931 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' GLN . 59.1 tp -75.74 -52.42 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.991 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 mt -50.39 -44.91 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.801 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.53 93.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.816 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -61.77 -37.72 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.739 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -68.21 -31.0 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.875 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.1 -48.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.025 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -34.16 61.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 1.0 109.95 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.93 -32.82 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.114 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.63 84.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.55 -33.56 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.229 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -75.23 -54.26 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.253 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.4 pt20 -63.84 -40.62 97.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.24 -176.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.53 -33.33 74.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.352 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.45 -44.63 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.429 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.3 mt -49.64 -34.64 18.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 12.7 m -53.82 -59.8 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.549 179.592 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.25 -32.3 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.44 -49.3 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.657 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 34' ' ' ILE . 96.5 mt -57.77 -50.26 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.66 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' ' OG1' ' A' ' 38' ' ' THR . 55.3 mt -56.92 -31.47 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.677 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' HG11 ' A' ' 39' ' ' VAL . 23.8 ttm180 -64.07 -40.23 95.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.772 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.16 59.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.565 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 60.5 p -66.33 -36.71 83.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.652 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 2.3 p -67.92 -27.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.749 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.13 -39.67 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.46 -54.85 14.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.675 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 43' ' ' ARG . 26.9 m -51.89 -46.21 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.4 ttm180 -45.84 -45.0 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.674 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.82 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.577 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -60.66 -44.24 96.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.4 -9.92 34.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.469 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.01 26.92 0.94 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 36.9 m -75.1 142.45 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.807 0.336 . . . . 1.0 110.574 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -50.94 -43.27 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.453 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -144.08 135.69 25.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.952 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.56 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 9.1 p -143.74 133.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.897 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -135.29 149.64 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.001 0.429 . . . . 1.0 111.147 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.01 137.33 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.904 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 23.3 t80 -116.73 116.39 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 1.0 111.239 -177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -94.58 136.18 35.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.048 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.54 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 1.0 110.926 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.9 m-20 -100.88 151.7 37.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.479 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.18 -45.52 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.827 2.351 . . . . 1.0 112.063 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.79 -8.15 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.589 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 103.89 -9.27 51.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.8 m80 -75.39 147.98 39.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 1.0 110.594 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.18 159.8 24.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 p -136.87 160.58 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.8 t -88.32 105.81 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -104.07 -5.94 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.447 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.44 122.53 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.536 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 65.1 tt0 -152.09 138.38 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.517 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.97 133.73 43.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.631 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.505 HH21 ' CB ' ' A' ' 76' ' ' SER . 7.5 ptp85 -107.59 135.68 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.664 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.4 5.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 48.98 42.38 30.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 40.65 22.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 1.0 110.58 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 77.9 ttt180 -54.9 -46.28 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.615 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.5 mp -114.54 162.97 20.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.61 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.35 167.66 24.56 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.736 2.29 . . . . 1.0 111.995 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.505 ' CB ' HH21 ' A' ' 69' ' ' ARG . 25.5 t -97.92 122.23 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.612 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 27.9 mt -96.13 12.11 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.409 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.13 136.92 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.492 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.5 76.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.5 mt -85.86 146.95 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 1.0 110.495 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -106.94 136.48 46.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.437 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -103.53 140.95 21.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.492 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -70.77 137.05 31.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.746 2.297 . . . . 1.0 112.168 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.18 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.11 -16.67 1.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -67.83 -27.65 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 1.0 110.543 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.637 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.2 mm -106.74 105.3 54.58 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.521 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.637 ' O ' ' O ' ' A' ' 87' ' ' ILE . 84.6 Cg_exo -47.12 -131.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.961 2.441 . . . . 1.0 112.048 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -145.55 -53.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -53.32 -42.92 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.636 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.92 73.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.774 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -61.89 -36.96 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.7 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -62.58 -35.62 80.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.73 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 89.8 m-85 -68.76 -32.57 72.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.7 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.586 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 34.0 ttm180 -86.43 -20.36 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.785 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.681 ' N ' HE22 ' A' ' 99' ' ' GLN . 6.3 mt -101.9 -50.75 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.15 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.97 -16.45 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.16 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.787 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 44.13 52.69 6.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.82 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 13.1 m -160.01 128.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.371 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -172.44 129.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.483 177.467 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.67 153.02 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.646 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.71 127.79 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.655 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.414 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 6.5 t -84.34 172.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.49 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.414 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 59.7 m-20 -50.4 115.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.502 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -50.45 -15.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.9 tt0 -74.2 -36.93 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.8 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 54.05 66.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.292 176.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -111.87 140.57 46.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 1.0 111.016 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.813 178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.922 0.391 . . . . 1.0 110.573 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.16 142.07 18.98 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.927 2.418 . . . . 1.0 112.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 136' ' ' ASP . 33.6 m -114.96 127.49 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.376 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -36.91 140.39 0.44 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.784 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.22 -40.99 16.82 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.967 2.445 . . . . 1.0 111.788 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -29.86 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.56 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -88.18 -28.9 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.14 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.92 -49.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.235 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.91 -45.89 80.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.389 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -45.89 -41.57 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.269 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.23 -42.21 55.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.428 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -56.95 -45.23 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 t -63.13 -15.77 57.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.564 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 50.9 mmm -98.0 -1.22 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.9 20.9 72.52 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.7 t -107.1 140.96 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 1.0 110.696 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.85 -50.42 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.163 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.2 p -132.45 115.21 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.054 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.5 p -131.99 145.33 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.02 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.67 130.57 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.074 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.9 t -112.72 106.67 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 1.0 111.018 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 t -109.67 122.34 39.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.023 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.77 153.26 33.44 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.911 2.407 . . . . 1.0 112.765 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 55.8 mt -115.72 110.26 18.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.103 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.55 156.05 49.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 1.0 110.698 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.629 ' NE2' ' CD2' ' A' ' 159' ' ' HIS . 43.0 t60 -123.35 122.21 37.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.493 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.629 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 7.1 m-70 59.87 -99.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -119.12 -6.69 10.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -100.3 149.61 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.726 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 21.5 tp -102.1 125.76 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.47 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -101.56 -44.73 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.648 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.31 -177.87 33.8 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.266 -0.734 . . . . 1.0 111.266 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 32.6 mt -134.79 137.42 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 1.0 110.709 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 167' ' ' VAL . 9.8 tp -103.46 150.07 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.187 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.406 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 12.3 p -160.14 138.77 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 1.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.42 ' OG ' ' CB ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -115.56 138.61 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.151 177.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 48' ' ' THR . 10.4 m-70 -104.73 121.91 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.029 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.54 115.21 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.383 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -87.11 21.08 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -150.66 113.06 3.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.532 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.71 114.27 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.835 2.357 . . . . 1.0 112.262 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -151.92 102.03 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.17 156.76 7.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.859 2.373 . . . . 1.0 112.224 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -106.85 149.62 27.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.456 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -86.18 151.76 23.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -75.63 -49.07 19.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.358 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.17 -29.44 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.386 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.0 -43.0 81.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.343 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -75.39 -49.8 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.238 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 77.1 t -44.9 -49.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.047 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 185' ' ' GLN . 20.7 m -74.42 -51.32 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.168 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.517 ' N ' ' CG2' ' A' ' 184' ' ' VAL . 63.8 tt0 -48.04 -33.9 8.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 1.0 109.99 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.4 -42.83 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.966 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.68 -44.15 57.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.821 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.837 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -59.24 -36.97 76.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 109.756 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 1.4 tm0? -68.97 -30.77 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.807 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.2 t -75.82 -48.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.087 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 192' ' ' SER . 1.2 m -52.95 -31.2 39.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.952 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -69.2 -34.85 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.125 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.87 88.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.265 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.245 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.03 -48.02 75.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.332 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.8 -47.58 85.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.194 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.63 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.307 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -55.22 -45.83 75.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.425 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.8 tp -49.03 -37.95 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 9.8 m -51.67 -59.9 3.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.553 179.639 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 tp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.851 0.357 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -52.01 -31.79 31.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.619 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.82 -48.59 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 34' ' ' ILE . 21.5 mm -56.7 -51.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.685 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.498 ' C ' ' HG1' ' A' ' 38' ' ' THR . 91.3 mt -56.4 -33.97 66.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -64.02 -43.27 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.788 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.64 -26.82 60.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.781 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.498 ' HG1' ' C ' ' A' ' 35' ' ' LEU . 72.0 p -68.19 -36.98 80.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.646 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.13 -24.13 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.719 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.714 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.71 -32.94 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.722 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -63.04 -57.78 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.754 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 ptm180 -47.2 -42.01 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.735 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.43 -47.61 81.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.624 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.28 -42.54 99.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.554 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mt -93.91 -14.56 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.555 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 50.95 25.7 10.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -76.25 142.59 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 1.0 110.607 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -48.58 -44.12 36.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.502 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.445 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 54.2 ttt85 -145.66 133.67 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.876 -176.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.16 132.03 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.94 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -137.09 153.16 50.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 1.0 111.22 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.0 t -97.34 139.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.863 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.506 ' O ' ' N ' ' A' ' 165' ' ' LEU . 4.9 t80 -123.14 122.0 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 1.0 111.22 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.38 133.46 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.008 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' A' ' 57' ' ' ASP . 57.9 t80 -96.77 125.81 41.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 1.0 110.871 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 2.7 m-20 -90.44 151.88 44.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.461 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.94 -19.52 62.98 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.846 2.364 . . . . 1.0 112.061 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -90.76 -2.86 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -17.29 56.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 65.6 m80 -74.99 144.35 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 1.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -130.23 151.75 19.53 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -132.24 155.6 48.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.339 . . . . 1.0 110.517 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.5 t -94.97 111.8 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.668 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.24 -1.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.414 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.69 129.65 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.586 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.561 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -161.79 141.6 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.398 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.68 144.36 47.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.66 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.496 HH21 ' CB ' ' A' ' 76' ' ' SER . 3.5 ptp85 -125.64 141.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.478 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.53 119.0 6.36 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 61.38 39.57 97.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 40.48 21.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 1.0 110.596 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.8 ttm180 -59.84 -44.7 93.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -111.2 146.61 34.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.518 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.72 165.68 31.66 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.846 2.364 . . . . 1.0 112.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.496 ' CB ' HH21 ' A' ' 69' ' ' ARG . 45.5 p -96.11 135.48 37.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.709 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 16.1 mt -106.55 8.02 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.408 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.75 129.41 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -13.58 64.59 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 mt -80.73 141.16 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 1.0 110.565 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -113.22 152.62 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.508 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 18.2 m-85 -113.85 143.45 29.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.463 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.439 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.5 Cg_endo -71.82 146.4 47.95 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.755 2.303 . . . . 1.0 112.052 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -73.3 -38.95 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.801 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -18.05 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 33.1 p-10 -63.22 -35.96 82.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 1.0 110.505 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.514 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 4.5 pt -157.13 139.88 10.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.552 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 90' ' ' GLU . 71.7 Cg_endo -79.05 150.59 23.28 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.905 2.404 . . . . 1.0 112.137 174.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.406 ' HA ' HH11 ' A' ' 92' ' ' ARG . 95.9 mt-10 -48.91 -16.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 88' ' ' PRO . 86.4 tt0 -47.08 -50.99 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.588 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -66.19 -28.04 68.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.795 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.406 HH11 ' HA ' ' A' ' 89' ' ' GLU . 79.8 mtt85 -72.93 -28.64 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -67.94 -49.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.573 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 mt -55.12 -38.87 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.571 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.499 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 6.9 m-85 -69.28 -22.82 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.71 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.486 ' C ' HE21 ' A' ' 99' ' ' GLN . 56.9 ttp180 -93.91 -22.4 18.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.83 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 18.0 mt -89.04 -46.8 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.174 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.28 -15.79 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.221 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 9.5 mp0 44.26 56.45 4.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.864 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 9.8 m -160.06 123.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.347 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -177.68 130.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.507 177.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.505 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 4.0 m -144.13 155.98 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.579 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 41.6 mt -105.86 129.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.444 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 7.9 t -85.04 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.4 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.444 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 65.8 t0 -51.02 117.03 2.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -51.03 -16.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.2 tt0 -71.87 -37.64 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.396 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.22 -13.7 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 52.93 69.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.741 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.7 m -91.09 120.54 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.269 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -109.32 138.2 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 1.0 110.952 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.652 ' HG ' ' H ' ' A' ' 136' ' ' ASP . 1.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.828 -0.623 . . . . 1.0 109.862 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.912 0.386 . . . . 1.0 110.638 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.53 142.75 26.67 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.908 2.406 . . . . 1.0 112.329 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.9 m -116.98 130.11 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.41 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.652 ' H ' ' HG ' ' A' ' 112' ' ' SER . 11.2 t70 -41.71 138.32 1.74 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.695 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -41.54 -18.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.942 2.428 . . . . 1.0 111.769 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.6 OUTLIER -63.41 -40.15 96.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.561 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.68 -30.07 25.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.119 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.41 -60.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 145' ' ' SER . 30.5 t-80 -61.57 -43.65 98.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.358 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -45.94 -41.07 11.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.276 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.54 -43.96 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.434 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 37.4 m -63.43 -17.47 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.547 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 24.5 mmm -95.56 -0.04 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.83 21.86 73.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.1 t -109.43 142.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 1.0 110.678 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.07 -42.33 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.207 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.2 p -137.97 122.01 17.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.096 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -130.88 141.37 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 1.0 110.973 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.13 135.29 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.044 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.87 125.31 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 1.0 110.998 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 166' ' ' LEU . 20.2 t -130.94 114.48 16.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.977 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.02 153.61 41.8 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.007 2.471 . . . . 1.0 112.755 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 48.3 mt -116.59 110.71 18.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.09 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.6 ptm -137.42 162.74 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 1.0 110.712 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.497 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 49.0 t-80 -145.86 122.58 11.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.466 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 59.2 t60 77.18 -115.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.516 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -117.72 -4.1 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.447 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.456 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 15.6 pt-20 -106.03 157.53 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.63 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.02 129.79 55.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.457 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.456 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 16.6 m95 -101.4 -42.25 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.734 -177.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.48 -176.66 35.66 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.4 mp -139.76 142.82 36.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 154' ' ' VAL . 4.4 tp -105.94 155.39 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.124 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.88 137.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 1.0 111.027 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 p -117.42 134.47 54.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.136 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -117.05 136.42 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.964 0.412 . . . . 1.0 111.101 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -135.1 150.26 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.363 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.41 -21.81 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.662 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -113.02 157.5 40.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 174' ' ' ARG . 10.0 Cg_endo -50.15 -71.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.89 2.393 . . . . 1.0 112.222 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 173' ' ' PRO . 44.6 ttt85 50.66 103.1 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 1.0 110.431 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.51 165.95 20.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.829 2.353 . . . . 1.0 112.189 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -107.25 140.04 40.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.461 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 21.9 t -88.59 152.98 21.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.671 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -55.19 -35.5 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.445 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 47.1 mp0 -75.35 -47.49 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.444 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.5 -56.88 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.289 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -63.89 -48.6 76.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.187 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 53.7 t -45.51 -51.27 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.126 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 68.2 t -74.77 -53.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.16 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -48.38 -36.44 14.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 41.3 tp -73.54 -43.38 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.994 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.11 -45.71 64.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.788 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.13 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.767 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.69 -35.54 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.78 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.5 -28.63 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.855 -0.612 . . . . 1.0 109.825 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.87 -49.72 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.127 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.3 p -53.69 -32.54 52.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.019 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 35.1 mt -68.05 -33.04 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.106 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.262 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.4 mt -55.65 -53.23 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.218 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.497 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -63.66 -47.44 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.292 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.84 -46.22 91.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.263 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.42 73.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.271 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -52.73 -41.94 64.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.465 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.56 -35.66 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 25.4 t -54.51 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.852 0.358 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 67.4 t0 -48.88 -32.83 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.42 -48.33 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.643 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.438 HD13 HG22 ' A' ' 34' ' ' ILE . 21.7 mm -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' ' OG1' ' A' ' 38' ' ' THR . 28.6 mt -58.66 -32.05 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.614 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -64.87 -39.83 94.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.744 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.36 -26.55 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.709 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 43.6 p -66.6 -38.08 86.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.654 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.91 -24.4 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.753 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.18 -41.51 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.46 -33.51 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.768 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 t -64.16 -59.22 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.749 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ptm180 -47.59 -41.71 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -55.42 -45.03 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.688 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.614 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mt -94.03 -11.62 30.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.509 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.91 27.3 20.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.1 142.31 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 1.0 110.618 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 46.0 p-10 -61.88 -31.62 71.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 14.5 ttt180 -144.16 123.5 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.93 -176.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 t -141.67 130.09 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.914 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HZ3' ' CD1' ' A' ' 77' ' ' LEU . 43.4 mttt -134.47 151.07 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 1.0 111.211 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.1 t -98.96 137.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.882 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.471 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 20.9 t80 -118.17 117.17 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.427 . . . . 1.0 111.204 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -97.34 137.79 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.973 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' NH2' ' A' ' 92' ' ' ARG . 0.3 OUTLIER -100.52 137.92 38.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 1.0 110.938 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.5 m-20 -101.04 151.79 37.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.494 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -41.6 -45.84 6.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.781 2.321 . . . . 1.0 112.105 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.8 -8.42 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 104.02 -9.25 50.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' ASP . 74.2 m80 -75.7 149.19 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 1.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.99 159.37 23.94 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -135.96 159.74 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 1.0 110.581 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.1 t -88.68 106.11 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -104.01 -5.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.4 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.01 124.18 6.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.545 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -156.36 139.63 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.487 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.48 142.51 45.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.656 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -125.33 142.95 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.642 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.32 140.01 14.67 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.19 36.43 1.31 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 48.6 mp0 41.34 20.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.667 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 71' ' ' GLY . 19.6 tpt180 -57.25 -43.92 83.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.581 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.58 148.13 37.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.53 160.32 50.21 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.786 2.324 . . . . 1.0 112.084 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -95.08 117.28 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.545 ' CD1' ' HZ3' ' A' ' 52' ' ' LYS . 37.8 mt -95.88 14.35 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.413 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.73 136.5 57.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.0 -7.51 80.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.8 mt -87.02 146.95 25.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 1.0 110.62 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 t -107.11 137.83 44.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.381 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -105.38 140.46 21.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -71.68 143.19 41.39 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.786 2.324 . . . . 1.0 112.137 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.45 89.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.824 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.9 -19.01 3.15 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.54 -25.89 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 39.7 mt -116.62 94.82 44.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.574 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 98.5 Cg_exo -41.41 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.836 2.357 . . . . 1.0 112.125 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -161.27 -50.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -49.57 -44.36 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.633 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.45 76.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' NH2' ' CD2' ' A' ' 56' ' ' PHE . 76.5 ttt180 -65.43 -33.18 75.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.63 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' LEU . 99.2 mtt180 -63.72 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.611 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.14 -36.39 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 68.3 m-85 -67.83 -30.64 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.718 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -93.34 -22.19 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.831 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.581 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 34.9 mt -91.46 -49.64 6.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.196 -175.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -12.98 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.209 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 6.2 mp0 44.84 56.94 4.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.831 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 9.7 m -160.31 122.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.397 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -172.6 133.36 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.522 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.2 p -144.77 155.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.6 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.431 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 53.0 mt -109.31 129.25 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.628 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.449 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 5.4 p -86.33 174.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.408 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 107' ' ' GLU . 66.1 t0 -51.57 116.32 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 37.5 t -50.71 -13.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 105' ' ' ASP . 42.3 tp10 -76.94 -35.23 57.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.446 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.29 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 53.81 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.76 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -95.44 123.39 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.257 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -112.12 141.18 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.99 0.424 . . . . 1.0 110.957 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.876 177.625 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.945 0.402 . . . . 1.0 110.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 138.74 17.56 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.961 2.44 . . . . 1.0 112.256 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' ASP . 14.9 m -121.37 133.18 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.35 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.4 OUTLIER -38.83 140.57 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.712 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.05 -33.63 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.997 2.465 . . . . 1.0 111.71 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -59.94 -32.0 70.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.546 -178.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.443 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 2.4 t60 -86.87 -32.02 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.178 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.18 -53.35 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.45 -44.23 96.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -45.5 -42.99 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.335 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.57 -42.72 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.508 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -55.53 -44.65 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.577 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.6 m -63.78 -17.29 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.2 mmm -95.21 -3.21 48.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.7 21.09 69.7 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.14 139.24 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 1.0 110.686 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.08 -53.77 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.252 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.7 p -129.59 114.56 16.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.6 p -130.84 144.34 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 1.0 110.992 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.73 133.95 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.05 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.25 128.85 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.082 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 37.0 t -133.2 123.86 18.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 1.0 109.987 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.98 150.74 18.23 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.916 2.41 . . . . 1.0 112.773 -175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.9 mt -115.22 108.19 16.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.161 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.422 ' O ' ' OG ' ' A' ' 192' ' ' SER . 18.8 ptm -137.02 154.67 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 1.0 110.695 -174.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.58 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 67.9 t60 -135.79 123.03 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.448 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.5 t60 78.34 -116.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.59 -3.75 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.449 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -106.38 158.81 16.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.627 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 28.9 tp -106.53 128.56 54.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.475 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -99.11 -41.59 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.7 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.59 -176.8 32.06 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -137.28 134.16 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.812 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 5.3 tp -104.21 152.6 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.131 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -161.52 139.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 1.0 111.043 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.6 p -118.49 133.78 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.171 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.459 ' ND1' ' NE ' ' A' ' 50' ' ' ARG . 25.9 m80 -109.74 134.31 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 1.0 111.047 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.45 130.08 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.372 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.26 35.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.626 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -157.67 149.59 17.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.538 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 174' ' ' ARG . 37.9 Cg_endo -67.31 -4.45 11.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.794 2.329 . . . . 1.0 112.187 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 173' ' ' PRO . 50.8 ttt85 -34.82 99.66 0.17 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.367 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 173' ' ' PRO . 50.7 Cg_exo -54.79 163.17 4.22 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.801 2.334 . . . . 1.0 112.228 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.92 146.27 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.389 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.5 m -87.73 151.15 23.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.53 -25.12 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.48 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.41 -56.26 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.409 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.28 -26.73 66.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 56.8 tp -54.26 -51.65 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.309 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.33 -54.78 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.258 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 65.4 t -43.8 -41.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.1 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.63 -50.17 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.15 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -48.99 -36.89 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.894 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.9 -44.3 61.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.982 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 61.0 tp -50.22 -45.09 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.809 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.33 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.731 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -61.46 -37.98 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.789 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -68.07 -31.08 70.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.842 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 67.4 t -75.72 -49.16 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.04 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 157' ' ' MET . 22.4 p -52.83 -30.58 34.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.989 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.5 mt -68.53 -35.57 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.133 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.39 87.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.298 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.6 mt -54.77 -54.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.225 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.58 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.46 -48.4 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.247 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.86 -47.54 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.254 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.02 -34.52 78.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.337 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.29 -40.04 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.22 -31.13 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.385 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 88.9 p -53.86 -59.9 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.487 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.519 179.704 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -53.02 -32.12 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -77.99 -47.37 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.643 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 34' ' ' ILE . 20.9 mm -57.65 -51.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.602 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.461 ' O ' ' OG1' ' A' ' 38' ' ' THR . 85.4 mt -57.58 -37.35 73.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -63.26 -42.89 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.793 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.59 -26.45 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.735 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 79.2 p -70.44 -37.69 74.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.709 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -72.18 -24.36 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.705 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.61 -45.51 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.44 -37.38 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.48 -53.66 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.722 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 47' ' ' GLY . 67.1 ttp85 -51.82 -44.46 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.682 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.19 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.646 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.33 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.3 -14.22 25.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.476 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.739 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.64 25.0 4.41 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -178.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 5.4 t -75.95 145.19 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 1.0 110.606 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 92.8 m-20 -39.95 -51.34 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.599 HH21 ' CG2' ' A' ' 148' ' ' VAL . 27.6 ptt180 -152.51 147.95 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.894 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 p -145.75 135.58 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.928 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HZ2' ' NH1' ' A' ' 50' ' ' ARG . 28.6 mttp -134.9 149.56 50.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 1.0 111.19 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.34 138.24 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.881 176.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.8 t80 -117.18 114.49 23.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.009 0.433 . . . . 1.0 111.179 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -93.75 136.16 34.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.997 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -100.87 139.35 36.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.888 0.375 . . . . 1.0 110.885 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.4 m-20 -101.74 151.05 37.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.473 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -41.72 -45.43 6.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 1.0 112.062 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.51 -7.7 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.91 -10.04 55.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.2 m80 -74.2 147.3 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 1.0 110.606 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.68 159.91 24.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 p -137.07 161.04 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 1.0 110.566 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -90.37 107.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.654 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.06 -3.41 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.431 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.99 127.1 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -161.87 141.66 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.499 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.38 136.69 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.625 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -111.47 139.56 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.591 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.83 130.3 10.24 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.36 41.47 5.18 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 40.76 18.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 1.0 110.557 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 71' ' ' GLY . 96.5 mtt180 -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.528 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mp -117.45 153.94 50.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.582 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.53 168.15 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.765 2.31 . . . . 1.0 112.087 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -98.35 146.42 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.8 15.45 17.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.85 133.67 53.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.517 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.85 71.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.8 mt -82.82 143.03 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 1.0 110.504 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.1 t -103.89 132.31 50.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.463 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.9 112.47 63.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.444 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -45.39 147.41 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.753 2.302 . . . . 1.0 112.108 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.65 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.76 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.56 -20.5 7.65 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.82 -6.18 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 110.509 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.88 131.97 20.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.614 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 73.2 Cg_endo -76.07 -113.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.896 2.397 . . . . 1.0 112.09 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 42.0 tp10 -164.85 -49.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.574 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -49.22 -45.83 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.67 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.23 75.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.454 ' NH1' ' CE2' ' A' ' 56' ' ' PHE . 31.5 ttp180 -64.32 -32.57 74.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.7 mtm180 -63.92 -39.05 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.573 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' HB3' HH11 ' A' ' 101' ' ' ARG . 13.8 mt -58.06 -36.76 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.557 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 75.1 m-85 -68.01 -29.98 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.702 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -93.32 -22.25 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.809 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.558 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 41.2 mt -90.74 -50.03 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.2 -175.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.8 -8.94 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.158 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.558 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 7.9 mp0 41.81 57.26 3.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.874 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.401 ' O ' ' CZ ' ' A' ' 101' ' ' ARG . 7.1 p -160.97 120.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -165.72 132.1 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.481 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.77 152.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.2 126.89 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.624 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.421 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 6.4 p -84.84 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.459 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 107' ' ' GLU . 40.9 m-20 -52.26 115.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.554 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -49.74 -14.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 105' ' ' ASP . 84.3 tt0 -73.44 -36.41 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.411 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.17 -15.09 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.517 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 53.61 67.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.713 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.0 p -97.27 124.69 41.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.211 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -113.66 143.0 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 111.046 -176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.864 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.877 0.37 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.459 ' O ' ' OG ' ' A' ' 112' ' ' SER . 50.8 Cg_exo -51.14 139.96 41.96 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.934 2.422 . . . . 1.0 112.272 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.474 ' CA ' ' OG ' ' A' ' 112' ' ' SER . 11.4 m -113.84 127.32 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -37.99 151.31 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.751 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.12 -27.62 75.12 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.964 2.443 . . . . 1.0 111.764 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.6 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.458 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 13.4 t60 -86.84 -26.53 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.138 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 56.5 t -57.57 -54.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.31 -44.79 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -47.47 -45.78 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.3 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.98 -46.65 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.436 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.13 -44.7 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.538 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -63.29 -17.14 62.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.1 mmm -96.4 -2.25 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.472 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.5 67.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.599 ' CG2' HH21 ' A' ' 50' ' ' ARG . 69.0 t -104.69 137.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 1.0 110.66 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.34 -56.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.181 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.9 t -130.97 114.13 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.093 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.422 ' OG ' ' CG1' ' A' ' 148' ' ' VAL . 45.8 m -130.46 144.67 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.386 . . . . 1.0 110.986 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.34 132.18 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.086 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.63 128.22 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 1.0 111.004 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 166' ' ' LEU . 18.7 t -131.85 117.66 16.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.99 156.07 34.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.954 2.436 . . . . 1.0 112.815 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 25.3 mt -120.04 111.69 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.202 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.1 ptm -133.6 152.97 52.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 1.0 110.69 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.56 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 56.6 t-80 -132.37 122.18 24.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.513 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.526 ' ND1' ' N ' ' A' ' 160' ' ' GLN . 41.3 t-80 74.41 -113.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.515 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.526 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 14.3 pt20 -117.02 -5.81 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.465 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 163' ' ' TRP . 10.2 pt-20 -106.14 161.71 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.633 -176.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.7 tp -108.97 130.07 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.417 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 161' ' ' GLU . 74.1 m95 -101.01 -41.68 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.685 -178.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.84 -175.65 34.09 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.171 -0.772 . . . . 1.0 111.171 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 mp -139.42 144.16 37.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 1.0 110.672 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 154' ' ' VAL . 4.9 tp -109.34 154.76 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.178 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.77 140.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 111.054 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.6 m -119.1 131.41 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.134 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.503 ' O ' ' OG1' ' A' ' 48' ' ' THR . 23.5 m80 -106.66 133.78 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.029 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -125.94 126.83 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.394 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.429 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -86.48 22.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.602 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 66.5 mm-40 -152.48 151.1 26.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.582 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.28 132.95 27.06 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.839 2.359 . . . . 1.0 112.232 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -172.61 96.66 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.388 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.6 163.72 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.882 2.388 . . . . 1.0 112.177 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.71 148.58 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 181' ' ' LEU . 49.5 m -103.88 151.18 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.605 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.93 -40.71 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.438 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 179' ' ' GLU . 47.9 mp0 -64.41 -55.82 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.442 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.44 -36.54 81.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.38 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 177' ' ' SER . 47.5 tp -62.11 -37.88 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.308 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -69.97 -52.52 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.234 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 71.4 t -44.44 -44.61 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.085 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.63 -50.39 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.164 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -47.89 -34.55 9.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.926 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.82 -43.74 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.949 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.3 tp -51.29 -45.24 62.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.846 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.58 98.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.789 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -60.76 -36.64 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.708 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.865 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.53 -48.4 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.069 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.3 m -50.95 -28.37 9.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.958 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.58 -33.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.124 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.95 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 196' ' ' ALA . 14.5 pt -67.61 -26.93 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.185 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.56 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.53 -54.58 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.19 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -36.57 82.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.276 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.21 76.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.308 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -53.04 -42.34 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.473 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.43 -35.82 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.401 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -49.88 -59.51 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.467 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.522 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.7 -30.9 34.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -77.19 -48.89 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mm -57.42 -51.19 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.536 ' O ' ' OG1' ' A' ' 38' ' ' THR . 78.1 mt -57.33 -32.12 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.595 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' O ' HG13 ' A' ' 39' ' ' VAL . 38.9 ttp180 -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.746 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.91 59.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.717 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 61.4 p -66.79 -36.87 83.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.669 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 36' ' ' ARG . 1.7 p -71.12 -25.14 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.715 -179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.98 -37.57 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.725 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -78.99 -40.73 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -53.8 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.768 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 18.6 ptt180 -49.82 -43.4 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.742 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.51 -48.78 78.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.655 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.93 -42.83 99.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -93.89 -12.25 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.493 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.21 26.3 12.89 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 33.0 m -75.43 140.0 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 1.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -53.58 -41.18 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.485 -177.189 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.672 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 16.0 ttt-85 -144.12 130.53 19.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.92 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.85 134.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.94 176.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -138.52 157.29 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.058 0.456 . . . . 1.0 111.188 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.7 t -99.25 139.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.916 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.483 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 14.7 t80 -121.15 121.11 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 1.0 111.194 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -98.64 139.04 34.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.024 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 135.29 42.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 1.0 110.945 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' HIS . 3.9 m-20 -98.43 151.99 37.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.5 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.73 -45.01 6.66 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.884 2.389 . . . . 1.0 112.02 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.2 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 105.64 -8.08 43.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.574 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.5 m80 -77.2 149.5 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 1.0 110.61 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.431 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.41 162.06 25.37 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -136.42 159.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.444 HG13 ' H ' ' A' ' 79' ' ' GLY . 9.8 p -94.29 110.47 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.604 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -110.1 -0.74 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.14 129.34 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.549 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE2' ' N ' ' A' ' 78' ' ' LEU . 9.5 pt-20 -164.94 143.52 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.441 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.402 ' HB2' HH11 ' A' ' 43' ' ' ARG . . . -134.53 144.83 48.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.677 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -111.52 135.12 52.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.56 117.8 4.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.77 40.84 34.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 41.99 41.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 1.0 110.679 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -81.16 -47.18 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.489 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 135.05 19.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.8 162.04 1.17 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.821 2.347 . . . . 1.0 112.057 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.416 ' HA ' HH21 ' A' ' 50' ' ' ARG . 22.4 p -90.27 127.1 36.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.624 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.672 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 33.0 mt -106.02 10.48 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.446 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.539 ' N ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 tp -59.25 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.474 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 89.23 -7.1 82.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.6 mt -85.76 140.17 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 1.0 110.52 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -104.99 139.82 39.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.482 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -109.41 139.43 21.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.459 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.518 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 38.2 Cg_endo -73.15 148.04 43.68 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.761 2.308 . . . . 1.0 112.184 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' O ' ' OD1' ' A' ' 86' ' ' ASP . . . -72.38 -33.11 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.46 -16.27 0.32 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.518 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 21.1 p-10 -63.01 -11.97 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 1.0 110.494 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 pt -149.08 106.12 3.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.517 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.58 -86.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.875 2.384 . . . . 1.0 112.163 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -173.54 -23.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.525 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.76 -46.45 65.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.55 77.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.764 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -62.86 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.705 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -63.33 -37.7 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.38 -37.05 76.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.589 -178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.465 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 84.4 m-85 -66.77 -30.19 70.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.681 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.446 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 61.0 mtp180 -89.56 -23.9 21.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.518 ' C ' HE22 ' A' ' 99' ' ' GLN . 19.6 mt -97.14 -50.84 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.219 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.483 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -105.67 -13.89 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.226 -174.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.753 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 42.67 55.71 4.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.788 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.72 123.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.391 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -170.43 128.89 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.485 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.0 153.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.62 129.12 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.626 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 8.2 t -85.68 172.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.474 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 107' ' ' GLU . 65.5 t0 -52.29 117.52 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.542 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.9 -15.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 105' ' ' ASP . 83.8 tt0 -74.53 -37.7 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.441 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.49 56.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.49 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 54.28 66.7 1.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.711 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.5 m -90.93 124.28 35.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.261 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -109.87 136.35 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.407 . . . . 1.0 111.023 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.937 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.884 0.373 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.94 140.9 18.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.901 2.401 . . . . 1.0 112.34 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 136' ' ' ASP . 3.7 m -116.99 129.25 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.381 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER -38.95 140.69 0.66 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.75 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.15 -41.73 16.48 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.96 2.44 . . . . 1.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -53.56 -32.05 49.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.595 -178.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.423 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 16.9 t-80 -86.97 -29.6 21.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.143 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.53 -48.82 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.233 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -64.81 -45.07 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -44.52 -40.57 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.303 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.79 -40.6 47.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.447 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -58.94 -44.6 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.509 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.6 t -61.99 -15.51 44.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.639 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.28 4.2 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.02 22.54 73.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.9 t -108.93 143.21 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 1.0 110.635 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.28 -33.19 5.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.19 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 p -148.09 120.22 8.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.089 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 p -130.47 142.95 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.976 0.417 . . . . 1.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.8 tt -108.08 134.27 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.067 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.0 t -110.65 129.18 66.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 1.0 110.99 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.13 115.33 17.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.005 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 153.2 41.45 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.974 2.449 . . . . 1.0 112.768 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.2 mt -119.07 110.6 17.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.112 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.479 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 17.9 ptm -137.0 159.63 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 1.0 110.72 -176.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.577 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 54.8 t60 -141.14 123.32 15.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.487 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.4 t60 76.43 -114.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.448 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -117.36 -5.76 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.465 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -105.48 158.41 16.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.566 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -106.1 128.97 54.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.425 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -100.26 -45.53 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.631 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.93 -177.84 33.38 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' TYR . 30.6 mt -135.33 152.43 51.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 1.0 110.681 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.04 151.38 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.228 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.2 p -160.44 138.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 1.0 111.075 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.94 141.11 48.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.168 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.482 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.1 m80 -112.23 129.09 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 1.0 111.043 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -124.47 121.99 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.39 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.66 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.601 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -133.85 150.47 74.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -41.27 137.12 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.857 2.371 . . . . 1.0 112.142 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -153.78 75.91 6.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -55.63 152.35 34.58 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.844 2.362 . . . . 1.0 112.15 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -109.62 143.88 38.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.397 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.5 t -83.08 152.34 25.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -56.11 -34.98 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -78.13 -54.64 6.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.05 -35.24 78.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.384 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.3 tp -51.62 -50.94 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.297 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -66.52 -47.82 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.209 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 66.6 t -43.36 -45.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.048 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.15 -50.68 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.171 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -48.7 -35.69 14.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.903 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.7 -45.06 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.9 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 58.6 tp -50.7 -45.11 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.742 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.801 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -59.5 -38.71 81.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.741 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -68.37 -30.55 69.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.828 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.6 -49.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.028 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 157' ' ' MET . 20.4 p -53.89 -32.2 52.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.977 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.91 -35.22 71.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.176 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.15 85.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.229 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.7 -52.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.185 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.577 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.15 -47.52 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.183 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.63 -47.16 87.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.335 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -52.27 -41.86 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.433 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.4 mt -48.5 -37.24 17.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 32.8 t -51.79 -60.69 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 202' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.999 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 1.0 110.582 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.06 -32.29 33.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.564 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -73.4 -48.87 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.654 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.22 -45.98 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.604 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.524 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.2 mt -56.34 -32.79 65.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.565 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.1 ttm180 -61.12 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.79 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.06 59.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.793 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 77.6 p -69.17 -36.21 77.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.682 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.4 p -68.32 -26.75 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.714 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.3 -36.53 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.744 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 45' ' ' PHE . 9.3 tm-20 -75.54 -54.02 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.683 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 43' ' ' ARG . 28.4 m -53.49 -49.5 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.733 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.64 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.2 ttt-85 -49.75 -44.81 48.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.63 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.09 -40.3 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.613 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.525 ' CE1' ' OE2' ' A' ' 41' ' ' GLU . 10.1 m-85 -67.3 -36.7 82.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.549 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.23 -11.87 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.499 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.16 28.67 3.17 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 1.2 p -77.74 144.72 36.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 1.0 110.622 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -51.35 -42.25 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.642 ' NH1' ' NZ ' ' A' ' 52' ' ' LYS . 63.2 ttt-85 -143.54 131.67 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.84 -175.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 11.4 t -140.84 131.51 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.944 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.642 ' NZ ' ' NH1' ' A' ' 50' ' ' ARG . 14.8 pttm -136.53 150.84 48.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 1.0 111.233 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.88 138.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 1.0 109.89 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 165' ' ' LEU . 12.2 t80 -122.54 123.8 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.251 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -103.01 141.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 1.0 109.989 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -103.24 137.96 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.901 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 61' ' ' HIS . 42.1 m-20 -95.87 151.74 38.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.516 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.13 -20.34 18.71 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.836 2.357 . . . . 1.0 112.079 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -92.6 -1.95 56.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.575 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -14.99 58.86 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' ASP . 50.3 m80 -75.05 145.14 42.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 1.0 110.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.78 155.72 21.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 p -134.4 157.79 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 1.0 110.55 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.62 110.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.647 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.11 -2.43 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.406 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.79 127.15 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.531 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' HH21 ' A' ' 50' ' ' ARG . 14.0 tm-20 -158.51 139.11 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.44 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.88 45.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.623 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -120.54 141.14 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.4 134.02 11.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.77 39.36 4.77 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 40.07 22.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 1.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' GLY . 75.9 ttt-85 -61.69 -46.3 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.98 148.26 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.25 157.49 59.25 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.755 2.303 . . . . 1.0 112.062 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -91.19 115.42 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -96.32 9.92 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.425 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.79 136.1 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.51 -8.94 75.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 mt -85.8 145.24 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 1.0 110.492 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.2 p -110.55 146.31 36.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.415 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.32 142.66 29.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.471 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.06 140.29 37.5 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.725 2.284 . . . . 1.0 112.163 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.78 80.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.742 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -49.16 -17.65 1.06 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -57.21 -7.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 1.0 110.486 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.464 ' H ' ' C ' ' A' ' 85' ' ' GLY . 16.0 pt -152.28 149.04 22.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.531 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.04 -94.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.874 2.383 . . . . 1.0 112.108 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -170.1 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.629 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -55.39 -43.12 74.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -42.57 65.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.812 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.98 -33.51 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.675 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -63.16 -34.52 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.74 -33.56 73.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.513 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.533 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 26.0 m-85 -70.6 -34.41 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.731 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.65 HH12 ' H ' ' A' ' 162' ' ' LEU . 21.6 mtp85 -86.68 -20.26 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.682 ' N ' HE22 ' A' ' 99' ' ' GLN . 96.2 mt -101.77 -49.83 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.175 -176.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.08 -16.55 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.231 -173.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.795 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 43.39 54.8 5.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.864 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.5 t -153.08 123.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.419 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 10.1 tpp180 -157.35 124.6 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 133' ' ' ARG . 47.1 t -147.09 146.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.61 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.4 126.78 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.614 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.9 t -84.66 172.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.466 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 107' ' ' GLU . 65.6 t0 -52.77 117.12 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.541 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.0 t -49.67 -17.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.535 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.8 tp10 -73.23 -38.77 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.491 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.87 58.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.496 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.92 65.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.728 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 p -91.04 124.48 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.197 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -110.34 136.51 49.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 1.0 110.995 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.453 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.889 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' VAL . 19.7 mmm180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.931 0.396 . . . . 1.0 110.561 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.77 141.43 17.14 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.918 2.412 . . . . 1.0 112.311 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.45 129.9 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.454 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.7 OUTLIER -41.76 151.11 0.33 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.762 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -46.32 -19.16 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.922 2.415 . . . . 1.0 111.764 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -40.89 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.09 -23.33 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.175 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.52 -57.99 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.172 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -66.26 -48.08 71.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.23 -42.75 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.307 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.99 -44.89 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.445 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -58.08 -45.84 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.569 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.0 m -63.43 -17.03 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.584 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 22.6 mmm -97.26 0.29 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.95 21.6 73.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.3 t -110.34 143.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 1.0 110.646 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -113.01 -43.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.232 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 p -136.65 120.95 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.4 p -128.97 140.31 51.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.992 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.0 tt -102.24 132.86 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.133 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 66.5 t -112.77 129.49 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 1.0 111.012 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.4 121.29 18.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.009 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.2 145.53 24.41 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.943 2.429 . . . . 1.0 112.723 -175.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.96 107.99 17.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.183 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 13.3 ptm -136.99 161.46 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 1.0 110.719 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.464 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 21.2 t-80 -134.17 123.34 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.587 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 75.4 t60 64.25 -105.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.46 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -117.49 -5.34 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.405 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -102.81 151.33 22.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.613 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.65 ' H ' HH12 ' A' ' 96' ' ' ARG . 23.1 tp -104.72 126.96 52.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.505 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -99.95 -43.54 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.671 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.43 -177.21 31.31 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.193 -0.763 . . . . 1.0 111.193 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.31 133.89 33.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.688 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 tp -100.76 151.97 21.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.167 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 12.6 p -158.33 134.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 1.0 111.05 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -117.52 134.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.156 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.518 ' HE2' ' HZ2' ' A' ' 52' ' ' LYS . 47.0 m-70 -109.73 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.004 -177.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.439 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.8 t-80 -128.98 133.89 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.304 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -70.22 -23.54 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.58 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.92 151.91 55.56 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.585 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.92 -66.82 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.811 2.34 . . . . 1.0 112.217 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.34 74.42 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.78 162.16 7.14 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.816 2.344 . . . . 1.0 112.219 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -112.12 141.87 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.397 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' SER . . . . . 0.611 ' HG ' ' H ' ' A' ' 180' ' ' GLU . 56.4 p -84.99 152.9 23.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.654 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -55.08 -35.83 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.403 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -74.87 -48.85 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.403 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.611 ' H ' ' HG ' ' A' ' 177' ' ' SER . 46.0 tp10 -62.43 -36.33 82.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.379 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.37 -57.67 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.271 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.85 -47.82 84.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.241 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.25 -49.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.068 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.18 -52.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.153 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.69 -37.23 18.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.917 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.2 -43.58 61.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 59.9 tp -51.52 -45.31 62.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.83 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.94 97.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.762 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -59.67 -36.54 76.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.74 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.766 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.99 -49.39 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.117 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -33.3 54.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.991 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.4 mt -67.56 -32.92 59.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.136 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.36 84.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.221 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 6.9 mt -61.82 -34.17 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.227 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.464 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -74.29 -54.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.327 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.475 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.6 pt20 -62.91 -39.47 94.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.252 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.479 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -67.48 -33.79 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.312 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -53.0 -43.49 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.442 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.12 -27.85 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.415 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 94.9 p -54.62 -59.15 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.547 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.603 179.48 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.512 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.38 -31.22 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -76.74 -46.59 24.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 34' ' ' ILE . 26.0 mm -56.39 -50.13 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.579 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.523 ' O ' ' OG1' ' A' ' 38' ' ' THR . 89.3 mt -56.19 -35.95 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.602 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' VAL . 55.6 ttp180 -61.62 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.816 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -27.21 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.763 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 75.5 p -68.02 -37.52 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.642 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 2.3 p -71.44 -24.82 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.72 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' OE1' ' NH2' ' A' ' 43' ' ' ARG . 72.6 mm-40 -75.14 -45.91 37.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -71.03 -39.65 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.39 -54.62 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.747 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -48.6 -43.52 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.687 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.9 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.654 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.95 -43.15 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.542 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -94.1 -11.61 30.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.515 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.12 25.83 4.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 62.0 m -75.0 141.72 43.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 1.0 110.595 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.95 -42.11 59.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.533 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.548 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 42.1 ttt85 -144.87 131.44 19.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.872 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.3 p -144.2 131.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.968 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -137.17 153.05 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 1.0 111.228 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.66 139.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.926 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.7 t80 -126.75 127.83 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 1.0 111.25 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 41.0 ptt180 -106.95 147.67 29.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.981 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.19 142.11 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.016 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.3 m-20 -101.1 152.52 37.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.437 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -41.08 -45.85 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.806 2.337 . . . . 1.0 112.082 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.71 -12.69 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 107.59 -7.14 36.3 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.0 m80 -74.75 145.72 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 1.0 110.512 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -131.22 155.27 21.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 10.6 p -134.46 157.13 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -92.44 110.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.606 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.0 t -106.84 -2.01 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.434 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.72 123.5 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.525 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -155.49 139.68 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.434 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.28 143.18 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.653 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -130.56 144.78 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.638 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.67 141.13 15.34 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 44.13 36.15 3.88 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 40.98 21.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.0 110.601 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.2 tpm_? -59.9 -41.99 92.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.578 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.34 120.42 41.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.541 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.1 Cg_exo -49.68 161.69 0.79 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.763 2.309 . . . . 1.0 111.978 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.413 ' HA ' HH22 ' A' ' 50' ' ' ARG . 29.5 t -88.36 119.63 28.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.709 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 23.6 mt -98.08 4.39 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.493 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.07 135.73 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 -8.89 78.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.6 mt -85.41 144.6 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 1.0 110.52 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.9 t -112.54 148.95 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.5 m-85 -117.26 149.37 44.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.428 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -78.24 147.54 23.34 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.718 2.278 . . . . 1.0 112.062 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.75 72.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.02 -19.38 1.46 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -66.84 -27.97 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 1.0 110.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 mt -131.67 91.41 33.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -34.63 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.914 2.409 . . . . 1.0 112.065 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.8 tt0 -172.17 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.535 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -52.78 -44.89 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.684 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.5 -37.54 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.842 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -63.41 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.69 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.457 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 91.3 mtt-85 -65.18 -38.08 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.568 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -36.63 71.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.588 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 80.8 m-85 -69.98 -33.42 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.751 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.482 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 58.4 ttp180 -88.68 -24.48 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.868 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.499 ' C ' HE22 ' A' ' 99' ' ' GLN . 90.1 mt -97.07 -49.43 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 -176.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.444 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.16 -173.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.73 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 41.72 55.41 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.789 -179.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.7 p -162.25 124.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.437 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.552 ' CG ' HH11 ' A' ' 101' ' ' ARG . 0.0 OUTLIER -170.36 131.23 0.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.495 178.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.4 t -144.51 153.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.7 mt -110.6 128.97 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.618 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.472 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 17.3 t -85.71 173.05 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.427 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 107' ' ' GLU . 35.5 m-20 -50.22 117.63 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.58 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 106' ' ' VAL . 26.7 t -50.58 -11.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.586 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.493 ' C ' ' H ' ' A' ' 109' ' ' GLN . 48.5 tp10 -70.65 -38.57 73.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.41 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.37 0.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.497 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 107' ' ' GLU . 13.6 pt20 37.44 71.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.762 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.6 p -92.59 123.63 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.235 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -112.52 139.84 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.977 0.417 . . . . 1.0 111.001 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.572 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.9 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.87 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.904 0.383 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.79 139.91 16.0 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.965 2.443 . . . . 1.0 112.257 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.38 132.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.409 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.572 ' N ' ' OG ' ' A' ' 112' ' ' SER . 5.7 t0 -41.87 144.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.441 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 8.4 Cg_endo -49.97 -11.88 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.943 2.429 . . . . 1.0 111.817 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.421 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER -70.45 -40.26 73.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -84.1 -30.92 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.195 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.47 -63.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.198 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -58.22 -41.34 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.385 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -48.63 -44.11 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.249 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.33 -47.08 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.539 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -55.98 -44.12 78.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.8 p -64.78 -17.68 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmm -95.77 -1.87 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.489 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.62 23.37 64.9 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.4 t -112.93 143.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 1.0 110.703 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.71 -45.49 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.194 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.2 p -131.67 118.25 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.054 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 168' ' ' SER . 31.5 t -129.47 141.13 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.9 0.381 . . . . 1.0 111.011 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -99.51 134.35 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.086 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.2 126.36 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 1.0 111.017 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 166' ' ' LEU . 60.7 t -131.82 118.25 16.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.012 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.74 155.9 31.21 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.994 2.462 . . . . 1.0 112.767 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.9 mt -120.29 111.81 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.103 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.533 ' N ' ' OG ' ' A' ' 192' ' ' SER . 15.4 ptm -133.46 157.58 45.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 1.0 110.648 -175.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.62 ' NE2' ' CE1' ' A' ' 159' ' ' HIS . 57.8 t60 -135.43 123.82 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.558 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.62 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 27.7 m-70 70.67 -110.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.505 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -118.15 -4.76 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.458 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.427 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 12.6 pt-20 -106.61 161.7 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.662 -176.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.42 129.14 55.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.464 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.427 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 46.3 m95 -102.09 -44.09 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.659 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -157.72 -176.94 30.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.22 -0.752 . . . . 1.0 111.22 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 tt -142.05 140.25 32.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 1.0 110.678 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 154' ' ' VAL . 5.0 tp -104.81 153.49 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.152 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.4 p -158.45 135.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 1.0 111.015 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -117.33 133.63 55.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.127 178.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.518 ' O ' ' CG2' ' A' ' 48' ' ' THR . 32.0 m-70 -108.56 129.08 55.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 1.0 111.077 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -124.45 126.78 46.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.374 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -84.26 32.7 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.613 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 25.1 mt-10 -160.7 142.93 9.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.53 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 174' ' ' ARG . 88.3 Cg_exo -41.57 -78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.778 2.319 . . . . 1.0 112.215 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 173' ' ' PRO . 0.0 OUTLIER 35.34 89.01 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.324 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.41 172.72 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 1.0 112.264 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -109.77 142.62 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.395 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 62.9 m -87.99 151.52 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.9 -25.91 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.444 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -82.0 -52.83 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.421 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.404 ' O ' ' CG2' ' A' ' 184' ' ' VAL . 95.8 mt-10 -65.89 -19.01 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.421 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 51.0 tp -74.78 -45.79 41.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.345 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.16 -56.48 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.173 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.5 p -46.66 -39.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.1 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.474 ' N ' ' CG1' ' A' ' 183' ' ' VAL . 73.7 t -73.18 -52.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.11 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -46.17 -31.2 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.958 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.2 tp -72.68 -43.76 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.94 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 61.6 tp -51.3 -45.66 62.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.866 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.77 92.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.818 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -58.06 -37.17 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.777 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 -30.27 67.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.856 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.5 t -75.57 -50.03 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.2 t -50.85 -27.21 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.952 178.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 193' ' ' ILE . 46.6 mt -76.41 -32.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.115 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.08 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.233 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.494 HG13 ' N ' ' A' ' 196' ' ' ALA . 12.8 pt -63.8 -30.5 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.259 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -73.41 -49.62 26.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.289 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.11 -41.64 97.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.18 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.45 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.04 -33.03 74.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.327 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.32 -43.23 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.466 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 50.0 mt -48.31 -29.7 4.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.693 ' HG ' ' H ' ' A' ' 202' ' ' LEU . 92.3 p -52.5 -59.07 4.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.693 ' H ' ' HG ' ' A' ' 201' ' ' SER . 16.4 tp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.61 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.885 0.374 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -54.57 -31.84 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.571 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -76.89 -49.47 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.684 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.73 -52.02 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.56 ' O ' ' OG1' ' A' ' 38' ' ' THR . 64.6 mt -56.54 -31.88 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.587 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -64.03 -40.46 96.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.794 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.79 -27.18 57.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 57.2 p -65.66 -38.62 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.755 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -70.91 -25.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.74 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.09 -36.87 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.08 -40.4 31.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.683 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -55.38 -56.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.717 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -52.09 -44.03 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.45 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -57.9 -49.03 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -63.09 -42.85 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.525 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.02 -13.18 27.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.521 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.67 25.77 15.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 170' ' ' HIS . 37.5 m -74.67 139.74 43.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 1.0 110.611 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.496 ' CG ' HH21 ' A' ' 73' ' ' ARG . 88.8 m-20 -51.41 -43.83 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.431 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.641 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 32.2 ttt180 -143.75 131.47 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.938 -176.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -149.78 134.33 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.965 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -138.77 156.81 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 1.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.02 139.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.814 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.1 t80 -119.62 120.5 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 1.0 111.169 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -100.82 141.58 33.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.986 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.41 128.9 46.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.99 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.3 m-20 -94.59 155.79 39.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -38.24 -53.2 1.73 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 1.0 112.139 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 56.9 tt0 -69.99 -12.7 61.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.593 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.21 -4.72 52.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 56.0 p-80 -81.96 101.53 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.527 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -88.05 168.0 36.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 p -139.58 161.95 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 1.0 110.601 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -90.1 108.28 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.27 -3.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.429 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.68 126.11 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.489 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' CD ' HH21 ' A' ' 50' ' ' ARG . 37.2 tt0 -157.88 140.28 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.1 137.82 44.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.693 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -124.1 143.34 50.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.64 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.88 141.86 15.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.12 34.92 0.64 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 41.96 19.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.609 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 25.1 ttp180 -55.94 -43.5 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.539 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 mt -108.45 126.79 28.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.62 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 78.3 Cg_exo -49.83 160.27 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 1.0 112.027 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -92.18 117.03 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.641 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 20.8 mt -99.68 9.96 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.471 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.86 141.1 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.499 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.07 -6.14 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.46 147.52 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 1.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 p -104.59 133.12 49.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.34 109.0 61.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.08 146.28 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.72 2.28 . . . . 1.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.15 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -19.17 1.85 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.36 -24.42 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 1.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 40.3 mt -119.88 94.99 49.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.521 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.7 Cg_exo -39.71 -111.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.937 2.425 . . . . 1.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 81.7 tt0 -158.89 -53.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.572 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -47.86 -44.71 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.624 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -30.52 68.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.782 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.77 -32.75 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.6 mtp180 -63.38 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.8 -34.75 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.434 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 7.6 m-85 -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.706 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -95.08 -21.05 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.584 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 58.2 mt -92.34 -49.58 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.226 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.84 -13.79 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.177 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 5.5 mp0 44.71 58.05 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.813 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -155.52 120.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.347 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -163.41 129.29 3.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.479 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -148.49 151.07 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.701 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.71 127.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 5.9 t -84.91 172.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.444 -178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 107' ' ' GLU . 44.7 m-20 -51.06 114.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.584 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 37.3 t -48.53 -13.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 105' ' ' ASP . 45.0 tp10 -77.1 -36.33 55.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.488 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.8 61.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.535 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 55.49 65.86 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 m -94.96 124.44 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.199 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -111.64 140.21 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.427 . . . . 1.0 110.973 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.916 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.578 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.912 0.387 . . . . 1.0 110.585 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.46 141.87 13.88 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.909 2.406 . . . . 1.0 112.265 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 22.2 m -121.9 130.28 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.368 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.485 ' CG ' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -40.92 157.86 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.707 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.408 ' CD ' ' OD1' ' A' ' 136' ' ' ASP . 31.4 Cg_exo -56.09 -30.08 77.35 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.949 2.432 . . . . 1.0 111.778 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.755 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -62.03 -29.7 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.659 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.914 ' ND1' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -86.96 -28.85 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.128 176.388 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.9 t -59.43 -50.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.181 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.22 -46.19 84.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.408 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.58 -43.5 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.335 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.31 -44.69 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.485 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -56.86 -45.54 82.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.641 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.7 p -62.8 -15.65 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.542 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.4 mmm -97.75 0.97 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.505 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.74 71.01 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.61 140.9 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 1.0 110.615 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.98 -32.47 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.196 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.1 t -152.98 118.53 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.014 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -127.09 141.22 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.948 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.5 tp -104.09 131.96 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.115 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.87 127.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.962 0.411 . . . . 1.0 111.038 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.05 96.61 36.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.108 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . 0.433 ' HG3' ' CD2' ' A' ' 95' ' ' PHE . 51.7 Cg_exo -50.64 148.32 15.93 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.882 2.388 . . . . 1.0 112.798 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.21 111.77 20.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.13 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.438 ' O ' ' OG ' ' A' ' 192' ' ' SER . 9.6 ptm -138.39 162.87 33.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 1.0 110.681 -175.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.57 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 64.4 t60 -143.6 122.2 12.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 51.5 t-80 76.18 -113.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -177.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.43 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 5.4 pp0? -118.4 -6.82 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.5 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -104.44 158.99 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.697 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -106.64 129.49 54.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.451 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.3 -44.74 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.588 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.05 -177.48 31.2 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.247 -0.741 . . . . 1.0 111.247 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 165' ' ' LEU . 3.5 mp -137.08 136.67 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 1.0 110.681 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.32 149.52 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.148 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.3 p -158.76 135.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 1.0 111.033 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.28 138.16 52.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.16 178.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 48' ' ' THR . 12.7 m80 -109.46 127.87 54.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.062 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.551 ' NE2' ' OG1' ' A' ' 48' ' ' THR . 76.8 m-70 -123.96 124.88 43.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.334 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.63 64.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 0.1 OUTLIER -127.43 158.0 71.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.76 140.82 96.67 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.875 2.383 . . . . 1.0 112.183 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -160.07 84.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.319 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.52 157.13 12.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.803 2.335 . . . . 1.0 112.263 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -109.64 145.13 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.452 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -103.87 156.85 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.657 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.58 -44.99 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.384 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -43.92 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -74.23 -8.07 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 185' ' ' GLN . 32.7 tp -83.03 -42.83 17.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.267 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 186' ' ' LEU . 92.9 mm-40 -65.09 -50.65 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.206 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 184' ' ' VAL . 21.5 m -47.15 -53.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.146 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.539 ' N ' ' CG2' ' A' ' 183' ' ' VAL . 7.6 p -76.37 -53.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.126 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 181' ' ' LEU . 63.4 tt0 -50.06 -38.89 40.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.92 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 182' ' ' GLN . 46.6 tp -74.81 -44.49 49.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.011 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 59.1 tp -52.45 -46.95 66.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.845 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.97 88.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.752 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.721 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.72 -30.73 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.2 t -75.14 -51.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.029 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 157' ' ' MET . 42.6 p -53.63 -31.38 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.022 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -69.69 -34.19 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.076 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.14 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.275 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.5 mt -55.41 -53.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.269 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.57 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -61.97 -46.84 87.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.283 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -60.86 -47.01 88.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.338 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -52.78 -41.51 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.452 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.56 -35.82 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.0 m -50.91 -59.66 3.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.882 -1.056 . . . . 1.0 110.507 179.572 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -53.53 -32.3 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.698 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -76.56 -48.64 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.12 -52.27 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.597 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' ' OG1' ' A' ' 38' ' ' THR . 59.2 mt -56.56 -32.89 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.624 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.83 -42.91 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.84 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.796 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.527 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 72.7 p -68.77 -37.17 79.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.689 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.4 p -69.1 -26.89 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.699 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.25 -33.66 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.772 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.89 -53.68 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG2' ' H ' ' A' ' 43' ' ' ARG . 34.4 m -52.81 -53.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.721 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.685 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -49.47 -42.72 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.687 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -52.92 -41.96 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.41 -35.14 78.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.558 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.92 -11.99 25.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.6 28.67 10.84 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.433 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.3 142.32 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 1.0 110.618 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.7 p30 -54.05 -39.05 65.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.502 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.582 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 15.7 ttt85 -144.12 132.44 21.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.904 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 6.5 t -141.61 131.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.873 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -136.85 151.29 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.025 0.441 . . . . 1.0 111.213 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.77 137.73 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.826 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.406 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 52.8 t80 -117.27 113.92 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 1.0 111.144 -177.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -92.86 131.68 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.939 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 75.1 t80 -98.44 127.69 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.961 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -94.8 160.84 30.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.484 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.74 -22.35 57.26 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.868 2.379 . . . . 1.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -90.04 -6.84 55.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.578 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.91 -15.42 51.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 71.6 m80 -74.48 141.73 44.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 1.0 110.589 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -126.97 148.08 17.17 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 p -129.32 152.01 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 1.0 110.515 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.45 109.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -103.85 -3.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.391 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.83 126.41 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.552 ' CD ' HH21 ' A' ' 50' ' ' ARG . 49.0 tt0 -158.51 139.33 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.433 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.89 138.57 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.689 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -117.81 140.83 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.589 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.2 136.16 12.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.96 36.74 1.95 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 42.13 19.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 1.0 110.61 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.8 tpt180 -55.66 -45.15 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -108.08 146.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.607 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.571 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 40.2 Cg_endo -67.74 158.86 55.31 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.763 2.308 . . . . 1.0 112.053 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.441 ' HA ' HH22 ' A' ' 50' ' ' ARG . 69.5 m -85.05 118.71 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.735 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.36 3.15 45.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 18.4 tp -56.42 137.16 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.508 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -8.7 76.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -84.72 145.74 27.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.34 . . . . 1.0 110.549 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -107.56 138.49 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -105.58 141.65 23.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 1.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -73.74 142.11 31.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.698 2.265 . . . . 1.0 112.179 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -69.72 -35.43 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.16 -17.41 0.34 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ALA . 94.4 m-20 -64.38 -21.36 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 1.0 110.429 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.0 mt -145.47 99.48 4.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.548 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.447 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.9 Cg_exo -37.88 -82.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.846 2.364 . . . . 1.0 112.131 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.447 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.4 tt0 -174.9 -33.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.57 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -56.33 -44.98 80.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.48 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.83 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -70.38 -31.55 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.696 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.54 -42.6 91.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.601 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 98' ' ' ALA . 10.3 mt -58.67 -34.31 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.584 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' O ' ' CD ' ' A' ' 99' ' ' GLN . 6.6 m-85 -72.59 -24.74 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.692 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.497 ' C ' HE22 ' A' ' 99' ' ' GLN . 55.7 ttp180 -86.61 -27.66 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.762 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.32 -40.17 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.208 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.62 -26.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.199 -175.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.742 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 39.3 51.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.809 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 99' ' ' GLN . 35.8 t -162.12 127.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.583 HH11 ' C ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -173.44 130.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.493 177.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.51 ' N ' HH11 ' A' ' 101' ' ' ARG . 4.5 m -144.7 154.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.612 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.9 129.89 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.56 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.46 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 11.9 t -85.12 173.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.419 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.46 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 25.9 m-20 -49.21 117.72 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.517 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -50.68 -16.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.556 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 105' ' ' ASP . 85.4 tt0 -74.08 -37.19 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.432 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.7 -15.54 30.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.503 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 53.4 69.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.701 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -92.14 122.22 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.185 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -110.53 138.87 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 1.0 111.029 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.939 0.399 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.89 144.89 7.6 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.929 2.419 . . . . 1.0 112.327 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.45 135.18 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.465 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.49 141.52 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.69 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -44.71 -29.4 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.949 2.433 . . . . 1.0 111.764 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -40.32 79.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -82.81 -31.65 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.192 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.08 -60.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.176 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.79 -43.1 98.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.32 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -46.24 -40.87 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.308 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 30.2 mt -74.97 -42.34 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.444 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -57.31 -45.07 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.504 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.3 p -63.73 -16.13 60.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 25.4 mmm -96.93 -1.43 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.58 21.74 71.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.94 141.77 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 1.0 110.691 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.71 -46.3 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.224 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 42.0 t -133.57 120.9 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.094 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.1 p -129.07 138.62 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 1.0 110.954 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.83 130.48 56.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.052 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 101' ' ' ARG . 0.8 OUTLIER -118.08 141.57 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 1.0 111.039 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.55 98.27 23.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.024 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -49.69 151.69 7.5 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.933 2.422 . . . . 1.0 112.816 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -115.8 110.38 18.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.169 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.536 ' N ' ' OG ' ' A' ' 192' ' ' SER . 9.5 ptm -137.89 155.32 49.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 1.0 110.717 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.644 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 2.4 t-80 -137.25 124.61 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.526 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.644 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 45.7 m-70 77.14 -118.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -115.76 -0.08 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.475 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.44 161.68 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.628 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.5 tp -107.84 128.88 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.457 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -99.81 -43.27 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.736 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -158.11 -176.24 29.94 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 166' ' ' LEU . 1.9 tt -139.63 130.23 25.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.871 0.367 . . . . 1.0 110.709 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 165' ' ' LEU . 5.0 tp -95.19 144.48 25.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.164 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.74 130.06 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 1.0 111.016 -177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.25 130.94 56.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.207 177.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -111.67 134.22 53.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.12 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.46 130.21 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.37 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.69 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.684 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 9.9 mp0 -92.49 151.53 41.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.468 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.25 13.59 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.746 2.297 . . . . 1.0 112.216 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -48.87 126.56 13.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.353 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.26 170.9 16.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.843 2.362 . . . . 1.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -96.8 137.44 35.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.443 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 35.8 t -87.61 153.12 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.683 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.32 -31.44 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.7 -49.31 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.422 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.482 ' O ' ' CG2' ' A' ' 184' ' ' VAL . 96.7 mt-10 -72.17 -12.97 61.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.404 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 181' ' ' LEU . 3.4 tt -66.38 -66.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.286 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 11.7 pt20 -71.05 -50.46 33.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.203 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . 0.493 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 60.9 t -42.42 -46.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.064 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 180' ' ' GLU . 92.7 t -74.24 -46.15 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.183 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -45.79 -31.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.979 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 190' ' ' GLN . 20.4 tp -72.77 -43.95 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.913 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.09 -48.92 75.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.831 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.786 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.39 -34.84 72.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 1.0 109.726 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 186' ' ' LEU . 63.2 tt0 -71.79 -30.03 65.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.855 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 31.3 t -75.58 -50.2 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.011 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 157' ' ' MET . 6.3 t -53.96 -33.26 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.033 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 33.3 mt -68.06 -31.41 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.112 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.94 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.216 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.1 mt -55.32 -53.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.245 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.604 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -64.79 -48.06 75.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.215 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -60.83 -46.6 89.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.308 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.49 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.28 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -52.36 -41.73 63.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.458 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 tp -47.9 -34.33 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.419 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 94.6 p -50.0 -59.79 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.463 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.581 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 1.0 110.53 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -49.34 -35.2 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -75.25 -51.33 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.697 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -57.34 -46.45 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.612 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' O ' ' OG1' ' A' ' 38' ' ' THR . 30.1 mt -56.91 -31.41 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.618 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -63.83 -41.21 97.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.773 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' O ' ' OE1' ' A' ' 41' ' ' GLU . . . -74.58 -27.07 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.557 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 65.2 p -66.69 -36.48 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -24.45 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.736 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.57 -46.38 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.773 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 7.8 mp0 -70.54 -38.27 74.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.71 -54.26 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.75 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.768 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ttm180 -50.19 -44.47 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.717 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.61 78.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.615 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -62.78 -42.2 99.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -94.47 -13.04 26.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.522 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.768 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.84 26.3 5.59 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 p -75.98 142.73 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -49.07 -43.72 41.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.502 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.69 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 69.4 ttt180 -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.929 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -148.6 133.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.91 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -138.06 154.44 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.074 0.464 . . . . 1.0 111.178 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.99 139.56 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.656 . . . . 1.0 109.841 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 6.6 t80 -125.43 125.65 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 1.0 111.211 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -99.72 137.69 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.907 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -99.77 131.67 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 1.0 110.932 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.561 ' CG ' ' NE2' ' A' ' 61' ' ' HIS . 1.3 m-20 -98.04 152.08 37.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.47 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.84 -21.76 42.08 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.844 2.363 . . . . 1.0 112.065 -176.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 57.5 tt0 -86.28 -8.36 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.596 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 -16.48 45.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.561 ' NE2' ' CG ' ' A' ' 57' ' ' ASP . 28.3 p-80 -82.18 152.73 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 1.0 110.56 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -137.16 160.86 25.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 p -134.94 157.95 45.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 1.0 110.586 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.67 110.68 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.645 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.51 -2.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.422 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.61 126.33 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.605 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HG3' HH21 ' A' ' 50' ' ' ARG . 13.5 tm-20 -158.37 140.39 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.433 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.05 136.95 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.65 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -116.67 140.65 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.632 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.68 119.33 6.47 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 54.57 40.08 68.75 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 40.97 22.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 71' ' ' GLY . 24.1 ttm180 -60.88 -49.46 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.536 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.79 150.91 37.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.554 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 55.8 Cg_endo -71.41 147.49 52.63 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.77 2.314 . . . . 1.0 111.991 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.4 m -83.58 111.1 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.704 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.69 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 17.6 mt -96.12 8.08 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.532 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.9 tp -56.43 135.53 54.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.495 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -6.17 83.88 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.5 mt -88.21 144.24 26.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 1.0 110.545 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.5 p -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.455 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 26.4 m-85 -115.63 146.4 36.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.484 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -71.03 147.52 54.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.69 2.26 . . . . 1.0 112.119 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.91 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.72 -16.56 1.72 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 62.5 t0 -73.2 -21.62 60.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 2.0 mt -118.23 101.31 51.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.58 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.3 Cg_exo -45.74 -117.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.881 2.387 . . . . 1.0 112.138 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.9 tt0 -160.62 -54.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 90' ' ' GLU . 1.6 pm0 -45.8 -42.93 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.682 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.77 -44.0 64.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.784 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.11 -33.45 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.762 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 95.6 mtt-85 -62.02 -33.05 73.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.62 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 98' ' ' ALA . 27.4 mt -64.78 -31.86 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.603 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.588 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 10.5 m-85 -71.81 -35.03 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 45.6 ttp180 -86.21 -20.59 28.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.785 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.678 ' N ' HE22 ' A' ' 99' ' ' GLN . 97.1 mt -103.27 -46.96 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.182 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -104.56 -20.84 13.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.197 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.768 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.48 55.97 6.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.8 -178.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.5 t -153.35 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.444 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.448 HH11 ' HG3' ' A' ' 101' ' ' ARG . 12.2 tpt85 -159.76 125.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.518 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.58 149.13 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.577 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.79 129.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.594 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.22 176.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.445 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.414 ' OD1' ' OG ' ' A' ' 150' ' ' SER . 15.4 m-20 -52.19 117.56 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.3 t -52.17 -15.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.602 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -75.87 -35.83 59.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.413 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.68 -14.41 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.523 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.671 ' NE2' HH21 ' A' ' 111' ' ' ARG . 53.1 tt0 53.93 67.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.689 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -88.68 123.23 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.206 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.671 HH21 ' NE2' ' A' ' 109' ' ' GLN . 98.9 mtt180 -109.78 133.35 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.974 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.842 177.633 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.932 0.396 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.41 141.79 14.4 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.938 2.426 . . . . 1.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.04 135.39 62.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.375 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.4 m-20 -40.01 138.38 1.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.757 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.53 -18.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.015 2.477 . . . . 1.0 111.762 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -63.1 -51.11 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -71.04 -30.75 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.131 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.69 -58.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.25 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -66.09 -46.15 78.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.341 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -44.89 -41.41 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.333 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.78 -41.31 60.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.467 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -58.52 -44.27 89.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.491 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.5 m -63.73 -18.33 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 13.9 mmm -94.4 0.1 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.23 72.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.1 t -110.17 143.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 1.0 110.696 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.06 -45.61 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.187 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.414 ' OG ' ' OD1' ' A' ' 105' ' ' ASP . 68.2 m -133.6 121.62 22.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.031 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 168' ' ' SER . 30.0 t -129.8 139.98 51.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 1.0 110.939 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.18 134.41 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.081 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 45.3 t -113.81 128.96 70.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 1.0 110.992 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.1 117.44 15.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.009 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 150.45 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.976 2.451 . . . . 1.0 112.794 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.43 110.31 19.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.098 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.3 ptm -136.56 159.11 42.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 1.0 110.694 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.536 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 39.0 t-80 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.569 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 19.9 t60 64.89 -105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.507 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.25 -6.18 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.481 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 162' ' ' LEU . 28.2 tp10 -102.97 152.37 21.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.582 -175.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.404 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 23.8 tp -104.84 125.73 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -99.63 -41.95 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.692 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.75 -176.11 35.34 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.6 141.03 37.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 1.0 110.698 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.1 tp -103.91 150.84 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.164 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.51 132.82 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 1.0 111.066 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 151' ' ' SER . 8.5 m -117.24 136.99 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.169 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -108.4 130.38 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 1.0 111.088 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.656 ' CD2' HH12 ' A' ' 174' ' ' ARG . 4.9 t60 -128.42 128.08 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.335 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -71.75 -26.4 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.584 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.2 153.59 37.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.548 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.47 ' O ' ' O ' ' A' ' 174' ' ' ARG . 48.2 Cg_endo -69.81 -92.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.842 2.361 . . . . 1.0 112.225 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.656 HH12 ' CD2' ' A' ' 170' ' ' HIS . 20.8 ttp-105 58.68 127.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.55 164.95 27.84 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.83 2.354 . . . . 1.0 112.14 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -106.36 148.32 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.6 t -91.0 151.87 20.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . 0.438 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 4.0 mp0 -61.73 -30.54 70.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -81.09 -56.11 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.07 -36.29 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.354 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -69.67 -50.46 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.246 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 58.1 t -43.63 -41.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.128 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 93.2 t -74.71 -50.02 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -49.0 -34.91 14.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.877 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.19 -44.49 62.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 1.0 109.993 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 56.3 tp -51.93 -45.07 64.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.836 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.31 87.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.769 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -59.28 -37.72 78.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.701 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.66 -30.74 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.867 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.6 t -76.2 -49.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.054 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 12.2 p -54.23 -32.71 56.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.013 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -67.89 -34.75 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.113 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.06 86.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.252 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.78 -47.78 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.201 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.536 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -67.51 -50.05 60.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.273 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -60.72 -47.19 87.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.265 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.64 -33.61 76.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.319 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.99 -41.65 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.418 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 9.5 mp -48.9 -35.04 13.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.1 m -53.17 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.513 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -50.32 -34.61 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.667 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -75.26 -50.65 15.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.58 -45.71 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.705 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.55 ' O ' ' OG1' ' A' ' 38' ' ' THR . 32.6 mt -57.54 -31.16 65.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.599 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -64.17 -41.06 97.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.759 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.713 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.55 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 61.7 p -66.9 -37.17 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.741 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -25.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.719 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.38 -44.85 61.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.707 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.24 -36.0 71.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.65 -53.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.8 ttp85 -51.16 -44.96 61.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.7 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.63 80.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.646 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.76 -41.6 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.55 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.37 -13.31 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.747 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.04 26.52 6.09 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 p -75.98 142.42 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 1.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -47.74 -45.16 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.761 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 44.2 ttt85 -145.86 137.32 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.883 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.66 132.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 175.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -137.67 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 1.0 111.142 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -101.08 140.01 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.861 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.503 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 22.4 t80 -123.85 123.34 40.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.98 0.419 . . . . 1.0 111.188 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' CA ' ' A' ' 62' ' ' GLY . 16.5 ptm180 -103.96 144.91 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.971 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 132.74 47.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 1.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 60' ' ' GLY . 6.4 m-20 -96.78 155.52 37.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.475 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -38.66 -51.86 2.18 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.784 2.322 . . . . 1.0 112.113 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 97.3 mt-10 -70.18 -12.18 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 -178.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.3 -6.24 53.09 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 50.2 p-80 -82.75 101.09 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 1.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -85.63 167.42 40.65 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.2 p -137.7 161.04 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 1.0 110.595 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.537 HG11 ' H ' ' A' ' 79' ' ' GLY . 14.9 p -95.09 110.35 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.585 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.3 t -109.88 -0.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.397 -177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.6 126.94 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.522 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -161.81 141.12 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.517 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.7 144.12 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.632 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.39 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.83 139.35 14.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.43 44.59 3.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' GLY . 17.5 pt-20 33.18 31.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 1.0 110.59 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.0 ttm180 -69.24 -45.92 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.531 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.78 127.03 29.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.489 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.2 Cg_exo -49.49 156.75 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.816 2.344 . . . . 1.0 112.023 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.429 ' HA ' HH22 ' A' ' 50' ' ' ARG . 35.2 t -85.49 118.77 25.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.672 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.761 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 41.8 mt -100.83 7.29 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.463 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.3 137.06 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.485 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.537 ' H ' HG11 ' A' ' 64' ' ' VAL . . . 88.65 -6.55 83.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 176.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.86 141.63 28.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 1.0 110.505 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 t -102.34 134.52 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -104.9 108.29 60.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.492 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 53.1 Cg_exo -47.21 145.05 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.771 2.314 . . . . 1.0 112.174 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.801 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.39 -19.15 0.67 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 35.0 p-10 -65.8 -31.01 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 1.0 110.475 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 87' ' ' ILE . 34.9 mm -113.14 132.57 22.34 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.56 -105.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -160.67 -49.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -53.32 -43.97 68.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.683 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.09 -37.87 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.825 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -63.37 -32.12 73.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 97' ' ' LEU . 95.1 mtt180 -64.84 -37.76 88.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.07 -37.19 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.6 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.446 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 76.0 m-85 -67.89 -34.91 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.676 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.466 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 27.7 ttm105 -88.34 -22.88 23.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.813 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.516 ' C ' HE22 ' A' ' 99' ' ' GLN . 67.9 mt -95.37 -50.67 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.156 -175.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.519 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -107.55 -14.65 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.238 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.724 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 44.05 55.17 5.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.838 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 11.0 m -159.4 124.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.354 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -171.07 128.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.3 p -144.96 154.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.6 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.41 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 4.5 mt -106.75 127.03 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.437 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 16.7 t -83.54 170.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 -177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.437 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 62.6 t0 -51.77 116.52 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.08 -17.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.62 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -74.43 -38.03 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.465 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -17.16 40.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.555 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 55.28 65.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.715 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 m -89.82 124.74 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.208 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 -111.36 131.66 55.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 1.0 110.934 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.475 ' OG ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.94 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.956 0.408 . . . . 1.0 110.614 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.26 139.36 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.981 2.454 . . . . 1.0 112.288 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.68 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.399 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.51 ' C ' ' H ' ' A' ' 138' ' ' CYS . 1.2 m-20 -42.02 143.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.743 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.16 -11.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.985 2.457 . . . . 1.0 111.803 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.51 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -59.94 -40.04 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.606 179.17 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.03 -21.96 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.145 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.7 t -58.03 -63.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.256 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -66.16 -49.91 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -45.84 -43.41 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.74 -45.69 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -56.51 -45.81 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.5 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -64.33 -16.8 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.563 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.5 mmm -97.3 -1.59 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.05 72.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.56 142.25 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 1.0 110.72 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.27 -47.79 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.171 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.2 t -134.31 120.16 19.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.041 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.3 p -131.72 143.72 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.989 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 tp -101.76 134.73 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.118 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -113.82 127.3 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 1.0 110.937 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 166' ' ' LEU . 3.8 t -132.83 118.34 15.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.007 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.98 153.82 37.51 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.935 2.423 . . . . 1.0 112.751 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.3 mt -116.83 109.75 17.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.121 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.535 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 17.9 ptm -134.49 158.96 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.382 . . . . 1.0 110.698 -174.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.538 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 31.0 t-80 -131.72 121.93 25.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.573 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 54.6 t60 65.01 -106.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.54 -4.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.522 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -102.74 149.53 24.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.619 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.8 tp -103.07 127.12 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.456 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -101.43 -43.63 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.652 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.21 -176.79 33.7 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.201 -0.76 . . . . 1.0 111.201 -176.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.7 mp -139.81 139.95 36.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.785 0.326 . . . . 1.0 110.649 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 167' ' ' VAL . 8.0 tp -103.87 152.81 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.235 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.451 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.3 p -158.97 137.31 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 111.059 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.5 p -119.17 132.87 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.144 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -104.22 131.64 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 1.0 111.061 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -126.61 120.16 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.364 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.96 -23.09 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.645 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.74 163.12 17.82 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.53 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 174' ' ' ARG . 43.2 Cg_endo -69.69 -88.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.807 2.338 . . . . 1.0 112.239 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' PRO . 12.5 tpt180 58.7 120.62 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.74 165.05 27.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.895 2.397 . . . . 1.0 112.179 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -106.81 145.19 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 10.6 t -89.92 153.3 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.651 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.26 -31.8 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.437 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -87.28 -48.3 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.416 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.4 -28.14 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.401 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.4 tp -76.24 -46.91 25.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.286 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.66 -53.31 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.8 p -45.35 -40.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.006 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.486 ' N ' ' CG1' ' A' ' 183' ' ' VAL . 55.5 t -71.99 -51.74 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.176 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.09 -29.46 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.987 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -44.72 65.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.96 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 86.0 mt -51.32 -45.62 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.754 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.45 98.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.831 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -62.12 -40.5 96.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.773 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.8 -29.26 70.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.0 109.86 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.4 t -77.3 -47.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 13.5 p -54.26 -35.53 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.949 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.45 -35.81 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.129 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.261 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.5 mt -55.98 -49.01 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.21 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.538 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -66.06 -49.55 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.23 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.91 -48.07 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.335 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.309 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -52.19 -41.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.393 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.01 -33.94 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.389 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.4 m -52.02 -60.07 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 9.8 mp . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 66.1 t0 -51.97 -33.56 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.13 -49.47 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.42 -46.06 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' OG1' ' A' ' 38' ' ' THR . 22.3 mt -58.18 -32.13 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.699 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -68.44 -39.21 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.743 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.04 -25.49 58.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.739 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 34.2 p -69.74 -38.1 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.684 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.4 p -68.78 -25.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.717 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -78.57 -37.95 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.72 -54.15 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.718 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 43' ' ' ARG . 26.1 m -53.57 -47.83 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.729 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' N ' ' A' ' 47' ' ' GLY . 43.3 ttt180 -52.07 -45.95 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.56 62.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -67.94 -35.49 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.58 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.41 -14.6 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.545 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.01 27.15 6.47 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.561 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 12.8 p -76.28 142.63 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 1.0 110.608 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.78 -45.82 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.676 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 43.4 ttt180 -143.24 134.46 25.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.874 -175.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 10.8 t -139.81 130.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.826 -0.624 . . . . 1.0 109.965 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 147.4 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 1.0 111.116 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -98.23 138.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.862 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.0 t80 -116.34 115.01 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.092 0.473 . . . . 1.0 111.196 -177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -91.67 130.17 37.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.001 179.17 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 3.9 t80 -98.03 128.98 44.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.905 0.383 . . . . 1.0 110.964 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 4.6 m-20 -91.82 151.17 41.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.476 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.5 -19.54 36.91 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.871 2.381 . . . . 1.0 112.123 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.56 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.66 -17.27 59.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 73.1 m80 -77.49 150.08 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 1.0 110.673 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -136.71 159.32 24.49 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.6 p -135.14 158.79 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 1.0 110.585 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -90.12 107.5 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.636 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -104.46 -5.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.91 126.13 7.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.512 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.603 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.8 tt0 -158.62 139.23 12.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.44 134.64 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.616 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.593 ' NH2' ' HG ' ' A' ' 76' ' ' SER . 6.6 ptp180 -114.17 140.62 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.607 -177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA2' HH22 ' A' ' 43' ' ' ARG . . . -99.2 137.92 13.55 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.03 34.89 0.33 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.67 16.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.355 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 63.6 ttt180 -53.29 -46.52 69.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.529 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.82 148.75 36.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.547 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.658 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 39.8 Cg_endo -67.6 157.31 62.34 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.815 2.343 . . . . 1.0 112.002 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.593 ' HG ' ' NH2' ' A' ' 69' ' ' ARG . 5.7 t -89.0 119.51 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.727 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.676 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 21.0 mt -103.12 8.8 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 tp -62.55 139.27 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.545 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.33 81.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.4 mt -86.33 145.96 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.53 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.3 t -104.43 132.54 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -100.38 139.19 20.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.87 137.08 28.87 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.721 2.281 . . . . 1.0 112.126 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.92 84.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.05 -19.06 3.37 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -69.62 -27.82 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 1.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PRO . 5.7 mt -114.98 91.1 25.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.632 ' O ' ' O ' ' A' ' 87' ' ' ILE . 75.0 Cg_exo -37.4 -113.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.878 2.385 . . . . 1.0 112.166 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 85.8 tt0 -159.04 -53.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.633 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -48.32 -41.9 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.708 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.99 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.798 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -63.95 -33.94 76.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.638 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 64.8 mmt-85 -63.31 -37.1 85.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -35.15 74.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 55.7 m-85 -67.76 -34.83 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.609 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 36.6 ttm180 -88.95 -19.44 25.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.812 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.519 ' C ' HE22 ' A' ' 99' ' ' GLN . 70.7 mt -93.47 -51.76 4.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.208 -176.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.81 -11.13 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.18 -172.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.758 ' NE2' ' N ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER 44.65 48.85 8.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.837 -178.406 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 24.2 t -155.41 115.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.36 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 5.4 mtp85 -169.37 128.61 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.496 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.4 p -145.09 155.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.612 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 51.6 mt -106.57 129.32 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.53 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 6.3 p -84.89 173.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.422 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.428 ' H ' ' CG2' ' A' ' 104' ' ' VAL . 65.5 t0 -51.99 117.84 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.582 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.93 -20.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.556 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.12 -39.64 82.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.435 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.03 -12.1 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.54 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 52.54 69.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 p -94.52 122.62 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.197 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -110.64 135.93 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.028 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.535 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.1 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.897 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.877 0.37 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.81 139.8 17.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.894 2.396 . . . . 1.0 112.28 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 3.2 p -108.05 126.42 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.412 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.535 ' N ' ' OG ' ' A' ' 112' ' ' SER . 13.5 t70 -38.01 137.61 0.73 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -47.34 -43.34 26.71 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.95 2.433 . . . . 1.0 111.706 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -52.85 -30.06 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.56 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.413 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 1.0 OUTLIER -88.25 -27.76 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.112 177.735 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.37 -50.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.225 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -63.53 -46.56 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.1 -43.84 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.3 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.17 -45.41 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -53.97 -44.31 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.7 m -64.18 -17.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.57 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.6 mmm -96.19 -4.67 42.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.89 20.81 72.71 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.6 136.1 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 1.0 110.62 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.09 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.1 m -130.41 114.92 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.006 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.5 m -131.38 143.73 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.023 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 mt -102.2 130.53 48.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.012 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.97 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.01 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 166' ' ' LEU . 42.8 t -108.89 123.01 38.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.969 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.11 156.01 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.883 2.388 . . . . 1.0 112.807 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.9 mt -116.25 108.87 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.611 . . . . 1.0 110.183 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.5 ptm -136.01 161.0 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 1.0 110.719 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.554 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 54.9 t-80 -143.38 122.39 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.456 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 0.8 OUTLIER 77.0 -114.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.546 -177.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -117.74 -4.8 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.482 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -106.41 158.74 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.63 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -108.51 129.46 55.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.447 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -100.52 -41.93 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.88 -176.3 33.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.158 -0.777 . . . . 1.0 111.158 -177.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.6 mp -138.72 139.56 38.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 1.0 110.647 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 167' ' ' VAL . 8.2 tp -104.74 153.49 21.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.152 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.422 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 11.3 p -160.98 138.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 1.0 111.081 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 89.8 p -116.56 137.34 52.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.121 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -106.17 127.94 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 1.0 111.032 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -125.09 119.7 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.393 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.95 -22.27 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.72 156.24 43.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.526 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.47 -81.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.807 2.338 . . . . 1.0 112.172 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 50.64 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.408 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.45 164.95 1.77 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.863 2.375 . . . . 1.0 112.216 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -109.69 148.3 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 17.0 t -88.3 151.15 22.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.629 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.95 -27.8 68.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.427 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -81.16 -56.12 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.73 -37.06 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.364 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.25 -46.61 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.324 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -70.74 -51.27 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.199 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.3 t -44.35 -42.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 71.2 t -72.68 -49.98 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.169 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -46.83 -31.34 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.979 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.4 -46.17 70.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.904 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.92 -43.91 60.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.822 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.83 84.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.79 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.96 -38.26 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.796 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.01 -32.93 73.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.92 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.5 -49.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.036 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -33.46 52.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 1.0 109.944 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.5 mt -66.65 -33.96 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.129 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.37 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.265 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.7 mt -54.3 -57.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.257 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.554 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -63.35 -48.38 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.277 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -60.6 -47.18 87.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.259 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.84 -34.2 77.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.355 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -50.87 -38.76 51.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 53.8 mt -48.19 -32.94 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.439 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 78.7 p -51.33 -59.57 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.455 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.523 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -54.25 -32.24 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.69 -49.79 15.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.7 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.37 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.659 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.493 ' C ' ' HG1' ' A' ' 38' ' ' THR . 89.8 mt -56.47 -32.48 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.67 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.06 -40.95 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.82 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.52 -26.84 58.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.751 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.493 ' HG1' ' C ' ' A' ' 35' ' ' LEU . 74.4 p -68.4 -36.75 79.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.66 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.3 p -71.32 -26.62 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.702 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.13 -40.09 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.659 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.94 -53.13 9.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.732 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 43' ' ' ARG . 11.3 p -52.62 -47.83 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.75 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.4 ttt-85 -53.83 -44.89 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.26 -41.66 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.612 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -65.83 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.57 -12.85 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.491 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.9 27.28 4.79 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 13.2 p -76.2 144.17 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 1.0 110.629 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -45.04 -45.84 11.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.648 ' HE ' ' CE1' ' A' ' 169' ' ' HIS . 11.1 ptt180 -147.33 145.53 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.874 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 30.0 t -144.78 133.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.977 175.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HZ2' ' CD1' ' A' ' 77' ' ' LEU . 40.7 mttt -136.03 149.22 48.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 111.189 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.504 ' CG1' ' NH2' ' A' ' 55' ' ' ARG . 51.3 t -100.18 137.61 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.911 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.477 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 27.7 t80 -117.72 114.34 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.397 . . . . 1.0 111.226 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' NH2' ' CG1' ' A' ' 53' ' ' VAL . 6.5 mmp_? -94.65 137.89 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.93 140.31 36.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 1.0 110.929 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' HIS . 35.8 m-20 -99.85 151.53 37.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.532 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.77 -20.21 16.67 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.842 2.362 . . . . 1.0 112.068 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.47 1.96 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 -15.93 61.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 57' ' ' ASP . 33.8 m80 -75.36 146.69 40.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 1.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.84 156.07 21.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 157.67 45.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 1.0 110.563 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.46 108.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.21 -2.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.438 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.58 125.71 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -157.32 138.41 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.461 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.75 143.78 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.657 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -124.96 140.84 52.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.58 141.7 15.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.629 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.41 44.15 3.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 71' ' ' GLY . 18.0 pt-20 32.63 29.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 1.0 110.61 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.1 tpp85 -66.71 -44.12 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 HD13 HH11 ' A' ' 50' ' ' ARG . 25.7 mt -117.22 146.36 38.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.41 166.41 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.792 2.328 . . . . 1.0 111.973 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -97.7 126.8 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.727 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.488 ' CD1' ' HZ2' ' A' ' 52' ' ' LYS . 17.7 mt -96.28 11.75 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.75 134.63 57.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.489 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -10.35 70.5 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.1 mt -83.93 145.09 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 1.0 110.52 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 p -107.41 139.06 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.392 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -108.16 141.28 22.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.424 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -72.19 137.02 27.95 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.754 2.303 . . . . 1.0 112.154 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -62.89 -35.79 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.804 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.17 -17.26 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 84' ' ' ALA . 92.6 m-20 -70.11 -27.22 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.0 110.511 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.7 mm -113.69 101.46 53.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.4 Cg_exo -44.77 -116.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.894 2.396 . . . . 1.0 112.092 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -156.11 -54.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -46.87 -43.36 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.5 -46.51 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.764 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -54.39 -34.0 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.64 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -64.21 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.541 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.48 ' CD1' HH21 ' A' ' 133' ' ' ARG . 27.9 mt -60.91 -35.51 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 -177.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 32.2 m-85 -68.52 -30.81 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.658 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.535 ' C ' HE21 ' A' ' 99' ' ' GLN . 48.7 ttp180 -91.94 -21.66 20.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.793 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 75.9 mt -92.0 -49.42 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.222 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.23 -12.4 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.251 -173.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 13.8 mp0 43.52 57.66 3.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.844 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.5 m -157.96 124.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.409 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 101' ' ' ARG . 1.1 tpm_? -165.16 128.51 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.49 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.38 151.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.575 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.2 mt -113.94 129.41 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.482 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 7.6 t -87.57 174.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.437 -176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.482 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 29.9 m-20 -50.79 117.77 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.576 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.5 t -50.71 -14.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.53 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.2 tt0 -67.12 -40.85 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.393 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.41 1.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.483 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' ' 107' ' ' GLU . 14.0 pt20 37.44 70.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 p -89.67 123.5 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.256 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -111.52 140.38 46.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.997 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.456 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.864 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.48 HH21 ' CD1' ' A' ' 94' ' ' LEU . 22.2 tpt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.35 . . . . 1.0 110.551 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.454 ' O ' ' OG ' ' A' ' 112' ' ' SER . 76.4 Cg_exo -48.65 141.61 20.05 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.018 2.479 . . . . 1.0 112.266 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.8 m -115.63 130.68 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.396 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -41.48 154.67 0.23 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.797 178.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.49 -12.32 10.69 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.985 2.456 . . . . 1.0 111.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -40.09 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.64 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -84.0 -27.99 28.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.079 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -55.61 -64.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.249 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -56.73 -41.7 77.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.409 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 146' ' ' MET . 76.3 t80 -49.23 -46.6 46.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.3 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.82 -48.89 43.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -56.94 -45.52 82.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -64.17 -18.0 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.569 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 19.1 mmm -97.11 -2.58 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.86 22.74 65.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.454 ' CG2' ' NH1' ' A' ' 50' ' ' ARG . 74.1 t -107.41 139.69 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.664 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.08 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.171 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.4 t -135.27 123.1 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.063 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.462 ' HG ' ' CD2' ' A' ' 169' ' ' HIS . 25.2 t -132.3 141.01 48.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.972 0.415 . . . . 1.0 110.984 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.8 tp -100.37 135.77 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.045 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 48.6 t -113.47 126.36 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 1.0 110.98 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 t -129.65 113.85 17.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.981 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.3 152.02 43.98 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.891 2.394 . . . . 1.0 112.849 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 42.7 mt -116.74 110.6 18.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.079 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.522 ' N ' ' OG ' ' A' ' 192' ' ' SER . 11.1 ptm -135.67 153.91 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 1.0 110.704 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.471 ' ND1' ' CB ' ' A' ' 196' ' ' ALA . 80.0 t60 -122.42 122.39 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.515 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.467 ' C ' ' NE2' ' A' ' 160' ' ' GLN . 6.4 m-70 59.38 -102.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.525 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.467 ' NE2' ' C ' ' A' ' 159' ' ' HIS . 11.6 mp0 -116.74 -7.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.485 -177.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.83 148.78 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.626 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.67 124.87 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.437 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -101.48 -42.87 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.683 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.45 -175.89 33.95 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.153 -0.779 . . . . 1.0 111.153 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.5 143.43 35.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.814 0.34 . . . . 1.0 110.707 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.3 tp -107.59 153.4 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.15 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.53 138.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 1.0 111.017 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.458 ' O ' ' OG ' ' A' ' 151' ' ' SER . 41.7 m -120.49 140.63 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.136 178.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.648 ' CE1' ' HE ' ' A' ' 50' ' ' ARG . 8.0 m80 -118.25 137.72 52.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.012 -178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.505 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.3 t-80 -131.11 132.4 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.39 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.505 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -62.14 -23.47 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.64 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.09 151.44 49.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.556 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.43 -72.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.882 2.388 . . . . 1.0 112.209 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.73 ' HE ' ' H ' ' A' ' 174' ' ' ARG . 0.0 OUTLIER 47.8 75.83 0.62 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.97 172.67 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.796 2.33 . . . . 1.0 112.274 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -118.39 139.6 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.429 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 11.3 m -84.0 151.74 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.64 -28.37 68.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . 0.455 ' OE2' ' CG1' ' A' ' 183' ' ' VAL . 5.7 tm-20 -85.22 -53.03 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.463 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.38 -25.85 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.394 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.56 -38.26 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.363 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -70.82 -57.57 4.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.244 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . 0.455 ' CG1' ' OE2' ' A' ' 179' ' ' GLU . 19.3 m -47.73 -36.17 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.142 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 29.4 t -73.27 -53.14 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.138 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -45.97 -35.52 4.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.97 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.09 -39.3 72.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.925 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 8.5 tp -53.66 -46.48 70.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.833 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.848 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -56.53 -33.9 66.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 1.0 109.738 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -73.27 -28.39 62.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.809 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 -50.25 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.054 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.4 t -51.66 -27.97 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.949 177.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 47.1 mt -75.96 -31.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.105 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.33 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.285 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 196' ' ' ALA . 21.6 pt -68.97 -27.64 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.24 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.471 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -74.89 -53.68 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.202 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.4 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 1.8 pt20 -67.3 -36.98 82.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.305 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.57 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.305 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -52.62 -41.35 63.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.489 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 47.8 mt -47.95 -29.14 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 96.6 p -54.98 -58.64 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.44 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.542 179.554 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.76 0.314 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -48.97 -34.21 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.593 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.24 -49.79 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mm -58.84 -46.24 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.611 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' ' OG1' ' A' ' 38' ' ' THR . 39.9 mt -57.65 -32.44 67.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.615 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -64.77 -40.79 95.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.795 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -26.03 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.71 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 69.2 p -69.38 -36.4 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.673 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.1 p -72.33 -24.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.699 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -74.67 -47.72 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.737 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -70.38 -43.07 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.73 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -53.27 -55.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.728 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' A' ' 47' ' ' GLY . 65.4 ttt-85 -49.0 -42.06 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.717 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.1 -45.38 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.648 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.44 -39.07 93.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.55 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.7 -12.0 28.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.541 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.36 25.76 3.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.519 ' HG1' ' CG2' ' A' ' 51' ' ' VAL . 17.5 p -76.55 145.72 38.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 1.0 110.552 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -42.35 -48.41 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.453 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.436 HH21 ' CG2' ' A' ' 148' ' ' VAL . 26.0 ptt180 -151.0 145.55 25.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.859 -177.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.519 ' CG2' ' HG1' ' A' ' 48' ' ' THR . 12.3 t -142.27 135.16 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.964 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -136.17 149.86 48.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 1.0 111.192 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.2 t -100.69 137.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.846 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.4 t80 -117.63 118.68 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 1.0 111.227 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -103.47 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.009 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.612 ' CG ' ' NH2' ' A' ' 92' ' ' ARG . 19.5 m-85 -102.58 146.82 27.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 1.0 110.869 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.0 m-20 -102.03 150.84 37.81 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.65 -22.44 1.82 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.784 2.323 . . . . 1.0 112.132 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -98.03 0.47 46.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.526 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.39 -14.08 61.09 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.597 ' O ' ' N ' ' A' ' 57' ' ' ASP . 21.0 m80 -71.98 144.01 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 1.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.86 152.69 19.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 p -133.94 157.2 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 1.0 110.541 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -89.79 108.0 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -104.52 -4.02 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.03 124.92 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.601 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' OE1' ' OG ' ' A' ' 76' ' ' SER . 4.1 tm-20 -156.76 139.55 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.452 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.2 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.607 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -122.48 140.83 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.584 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.08 140.91 15.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.98 34.93 0.6 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 42.45 18.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.616 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.0 tpm_? -53.67 -44.27 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.594 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.93 149.1 48.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.593 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.18 166.29 23.71 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.839 2.359 . . . . 1.0 112.059 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.432 ' OG ' ' OE1' ' A' ' 67' ' ' GLU . 26.0 t -99.09 131.67 44.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.629 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.3 mt -98.86 14.79 27.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.0 134.99 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.54 -10.71 66.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.1 mt -83.76 148.71 26.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 1.0 110.526 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 p -107.95 136.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.74 139.26 19.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.463 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -71.49 139.3 34.18 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.815 2.343 . . . . 1.0 112.092 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.774 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.04 -19.22 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.56 -9.84 55.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 1.0 110.561 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.9 mt -136.96 132.14 18.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.615 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.46 -102.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.882 2.388 . . . . 1.0 112.097 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -170.47 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -50.58 -46.05 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.707 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.17 76.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.612 ' NH2' ' CG ' ' A' ' 56' ' ' PHE . 76.7 ttt180 -64.72 -32.35 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.637 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' LEU . 65.4 mtp85 -63.96 -38.58 91.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.539 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.57 -36.45 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.547 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 66.2 m-85 -68.47 -28.54 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.724 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -95.05 -23.3 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 65.0 mt -91.22 -49.26 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.149 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.5 -10.53 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.163 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 7.0 mp0 41.59 58.37 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.807 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -160.63 122.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.36 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.611 HH22 ' CG1' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -169.11 129.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 152.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.596 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.611 ' CG1' HH22 ' A' ' 101' ' ' ARG . 5.4 mt -108.69 128.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.571 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.412 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 5.5 p -85.25 172.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.471 -177.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.412 ' H ' ' CG2' ' A' ' 104' ' ' VAL . 56.8 m-20 -51.69 117.76 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.03 -18.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.605 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -72.67 -37.73 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -14.6 8.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.524 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 53.74 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.729 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.7 m -93.95 124.18 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.28 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.7 ptt-85 -111.4 138.35 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.968 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.533 ' OG ' ' C ' ' A' ' 134' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.871 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.949 0.404 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.533 ' C ' ' OG ' ' A' ' 112' ' ' SER . 71.7 Cg_endo -76.98 139.75 19.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.02 2.48 . . . . 1.0 112.317 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' A' ' 112' ' ' SER . 2.3 m -120.58 132.01 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.443 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.2 OUTLIER -37.29 152.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.711 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.03 -33.58 95.31 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.96 2.44 . . . . 1.0 111.816 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -61.84 -31.14 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.535 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.442 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 14.2 t-80 -87.49 -31.0 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.115 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 95.0 t -61.42 -47.43 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.231 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.42 ' CE1' ' OG ' ' A' ' 145' ' ' SER . 43.2 t-80 -65.47 -45.94 81.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -45.87 -38.44 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.305 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.01 -40.95 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.466 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -57.77 -45.32 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.532 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 34.4 m -63.28 -16.4 60.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.4 mmm -96.17 -0.19 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.473 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.57 19.69 77.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.436 ' CG2' HH21 ' A' ' 50' ' ' ARG . 96.7 t -104.34 140.08 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 1.0 110.678 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.49 -53.24 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.16 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.2 t -130.86 116.63 18.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.061 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 168' ' ' SER . 26.4 t -130.8 142.98 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 1.0 110.921 -178.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.3 tp -101.56 132.7 47.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.076 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.87 129.26 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 1.0 111.039 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 t -133.29 121.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.995 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.57 150.62 24.85 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.92 2.413 . . . . 1.0 112.81 -175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.3 108.27 17.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.058 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.5 ptm -136.81 162.92 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 1.0 110.684 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.533 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 77.9 t60 -145.84 121.89 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 58.0 t60 79.05 -114.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.487 -177.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -118.01 -3.01 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.467 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.29 159.6 16.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.604 -176.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 29.6 tp -107.28 129.5 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.461 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -100.05 -44.01 6.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.93 -176.22 30.73 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -138.84 133.92 32.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 1.0 110.73 -179.271 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.7 tp -104.51 153.82 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.205 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.5 p -163.44 139.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 1.0 111.024 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.469 ' O ' ' OG ' ' A' ' 151' ' ' SER . 25.9 p -117.15 135.62 53.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.2 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -112.52 135.41 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 1.0 110.984 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -127.99 135.66 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.37 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.463 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -89.2 30.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.647 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 9.9 mp0 -154.29 135.03 8.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.5 111.87 3.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.795 2.33 . . . . 1.0 112.223 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -147.82 142.59 16.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.37 150.73 37.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.85 2.367 . . . . 1.0 112.146 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -104.69 155.09 19.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.442 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.9 t -90.8 150.5 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.617 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.95 -29.75 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.422 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -77.45 -47.24 20.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.455 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.9 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.331 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -70.3 -53.71 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.195 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 60.1 t -43.61 -43.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.05 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.49 -50.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -49.35 -38.11 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.935 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.42 -44.24 62.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.93 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.35 -45.88 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.849 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.761 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.94 -35.96 76.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.737 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.26 -29.09 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.889 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.36 -48.95 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.064 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.6 p -54.02 -32.96 55.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.012 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.61 -33.05 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.077 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.65 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.301 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.9 mt -55.22 -55.29 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.533 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -64.34 -48.23 76.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.273 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.0 -46.91 88.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.268 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.45 -33.69 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.336 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -51.48 -40.08 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.426 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 36.4 mt -47.78 -30.9 4.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.445 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 78.9 p -51.2 -59.27 4.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.48 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.549 179.627 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.8 p-10 -53.29 -31.52 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.582 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.8 tp-100 -77.45 -47.14 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 34' ' ' ILE . 22.1 mm -58.38 -49.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' O ' ' OG1' ' A' ' 38' ' ' THR . 81.4 mt -59.18 -33.77 71.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.654 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' O ' HG12 ' A' ' 39' ' ' VAL . 52.9 mtp85 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.769 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -26.26 60.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.733 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.563 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 43.5 p -68.37 -33.87 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.666 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.9 p -71.27 -28.32 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.693 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -79.47 -43.52 23.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.658 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.69 -53.1 30.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.694 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 43' ' ' ARG . 7.1 p -51.93 -45.73 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.77 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.745 ' O ' ' N ' ' A' ' 47' ' ' GLY . 63.4 ttt180 -47.75 -43.69 27.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.744 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.39 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.517 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -95.44 -11.29 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.47 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.745 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.22 27.27 1.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 p -75.98 142.89 41.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.827 0.346 . . . . 1.0 110.607 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 94.2 m-20 -50.87 -40.83 57.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.452 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.739 HH22 ' HE ' ' A' ' 73' ' ' ARG . 5.7 mtt-85 -146.21 137.76 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.914 -176.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 7.8 p -145.91 132.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.962 175.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -134.76 148.53 50.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 1.0 111.163 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.2 t -102.11 139.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.861 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.3 t80 -121.98 122.95 40.51 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.716 -0.393 . . . . 1.0 111.209 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -102.92 142.05 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.987 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.638 ' CZ ' ' NH1' ' A' ' 92' ' ' ARG . 16.1 m-85 -103.31 144.59 31.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 1.0 110.946 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.1 m-20 -102.05 148.95 36.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.41 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.29 -21.2 1.78 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -95.15 2.29 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.634 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.88 62.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.595 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.4 m80 -75.48 147.29 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 1.0 110.615 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.24 158.04 23.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -134.31 157.98 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 1.0 110.577 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.523 HG13 ' H ' ' A' ' 79' ' ' GLY . 10.0 p -92.86 109.65 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.636 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.27 -0.1 10.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.397 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.74 124.95 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.596 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 72.1 tt0 -152.96 138.01 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.461 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.25 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.642 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -127.46 144.3 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.643 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.6 148.11 16.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.92 30.62 0.38 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 43.09 16.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.578 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.739 ' HE ' HH22 ' A' ' 50' ' ' ARG . 18.3 ttp180 -52.23 -37.93 56.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.591 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tp -116.23 131.91 23.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.54 145.64 97.45 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.779 2.32 . . . . 1.0 112.039 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.1 p -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.639 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.532 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 mt -96.67 6.05 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.519 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.535 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.8 tp -57.6 136.96 56.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.523 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -7.65 81.33 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.66 141.59 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 1.0 110.529 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -103.3 136.41 43.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.57 137.77 19.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.497 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.64 144.73 40.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.74 2.293 . . . . 1.0 112.145 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.33 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.813 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.92 -17.23 1.46 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -145.88 100.58 4.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.606 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.458 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 95.1 Cg_exo -41.74 -93.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.899 2.399 . . . . 1.0 112.074 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.8 tt0 -173.41 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.556 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -52.96 -45.07 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.65 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.04 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.791 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.638 ' NH1' ' CZ ' ' A' ' 56' ' ' PHE . 33.7 mtp85 -65.89 -32.9 74.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.686 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -63.49 -39.19 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' ALA . 12.7 mt -57.21 -36.09 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.636 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 70.2 m-85 -70.01 -28.88 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.648 ' C ' HE22 ' A' ' 99' ' ' GLN . 64.0 mtp180 -84.44 -24.87 29.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.862 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.793 ' N ' HE22 ' A' ' 99' ' ' GLN . 66.7 mt -106.47 -45.11 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.15 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -94.89 -24.88 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.205 -173.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.868 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 41.92 55.41 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.829 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.565 ' O ' ' NE ' ' A' ' 101' ' ' ARG . 7.7 p -167.97 127.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.357 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.58 ' CZ ' ' NH1' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -170.31 132.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.462 177.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -147.41 153.65 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.629 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -108.94 128.69 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.5 p -84.45 173.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.47 -177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.15 117.6 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.3 p -50.63 -18.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.533 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -69.79 -38.62 76.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.425 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.54 -13.56 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.584 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 52.36 69.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -95.99 123.3 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.271 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -111.59 142.11 44.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.855 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.58 ' NH1' ' CZ ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.866 0.365 . . . . 1.0 110.549 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.9 142.08 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.923 2.415 . . . . 1.0 112.279 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 m -120.37 131.97 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.437 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.528 ' OD2' ' SG ' ' A' ' 138' ' ' CYS . 30.3 p-10 -39.95 137.76 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.745 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -42.42 -33.56 2.7 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.98 2.454 . . . . 1.0 111.727 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.528 ' SG ' ' OD2' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -60.99 -35.19 76.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.658 -178.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.473 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 26.4 t-80 -84.05 -30.09 26.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.153 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.78 -55.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.217 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -60.55 -44.0 96.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.358 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -44.97 -42.81 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.283 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.17 -42.57 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.386 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -57.16 -44.64 83.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.496 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -64.61 -16.66 63.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.535 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 38.9 mmm -96.68 -1.85 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.498 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.34 21.26 70.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 39.1 t -110.56 142.82 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.72 -47.39 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.9 p -131.75 117.47 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.083 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 36.2 p -131.41 144.38 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.007 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -102.95 134.44 46.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 19.8 t -110.92 128.85 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.003 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.3 117.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.967 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.02 150.93 30.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 1.0 112.796 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -113.78 108.48 17.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.145 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 ptm -136.56 157.2 47.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 1.0 110.643 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 43.1 t-80 -139.02 121.79 16.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.487 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.1 t60 78.11 -114.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.559 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -117.49 -2.41 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.498 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -107.89 158.97 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.607 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 30.2 tp -106.41 130.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -100.26 -44.59 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.688 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.77 -176.36 30.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -139.01 134.6 33.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 1.0 110.671 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.6 tp -104.18 153.69 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.206 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.1 p -161.6 137.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 1.0 111.049 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.3 p -115.98 138.94 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.129 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -108.88 130.27 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.006 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.433 ' CE1' ' HE ' ' A' ' 174' ' ' ARG . 0.5 OUTLIER -124.9 127.72 47.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.388 177.557 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -90.22 29.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.687 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 27.9 mt-10 -158.58 150.33 17.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.34 84.28 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.767 2.311 . . . . 1.0 112.214 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.433 ' HE ' ' CE1' ' A' ' 170' ' ' HIS . 57.9 ttm-85 -118.72 91.58 42.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 1.0 110.394 -179.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.34 162.21 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 1.0 112.218 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -105.66 142.71 34.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.452 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 178' ' ' GLN . 30.4 t -89.53 153.41 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.689 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . 0.408 ' N ' ' HG ' ' A' ' 177' ' ' SER . 59.8 tt0 -57.35 -34.79 69.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.33 -54.95 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.459 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.71 -31.74 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.413 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.01 -56.89 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.286 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -62.13 -48.56 79.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.158 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.51 -50.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.067 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.85 -52.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.091 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.42 -38.38 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.0 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 6.2 tt -74.0 -46.16 45.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.96 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.8 tp -51.45 -45.02 62.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.778 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.69 84.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.762 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -59.34 -37.65 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.694 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.31 -31.94 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.867 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.53 -49.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.035 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.0 p -52.95 -31.35 39.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.938 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.63 -33.93 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.124 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.57 83.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.85 -48.49 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.205 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.469 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -65.55 -48.86 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.26 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.32 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.231 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.7 74.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.29 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -53.92 -43.93 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.398 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 45.4 mt -48.73 -35.29 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -53.18 -59.82 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.534 179.59 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -48.45 -34.42 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.665 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 26.3 mp0 -76.55 -49.78 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.695 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.67 -42.74 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.63 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.513 ' O ' HG22 ' A' ' 38' ' ' THR . 28.3 mt -61.36 -31.65 71.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.581 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.558 ' O ' HG13 ' A' ' 39' ' ' VAL . 67.8 ttp85 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.761 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.65 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.692 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 35' ' ' LEU . 1.5 t -72.12 -32.68 67.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 36' ' ' ARG . 5.4 p -70.01 -22.93 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.13 -42.64 59.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.87 -39.86 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.7 -54.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.732 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.722 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.4 ttt-85 -49.6 -42.65 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.749 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.24 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.651 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.01 -41.34 97.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.54 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -94.79 -11.76 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.45 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.722 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.05 25.6 2.6 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 12.3 t -76.09 145.42 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 1.0 110.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -41.27 -49.01 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.491 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 HH22 ' CE ' ' A' ' 146' ' ' MET . 39.7 ptt180 -151.68 147.0 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.909 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -144.94 134.15 18.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 176.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -137.01 151.62 49.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 1.0 111.172 -175.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -100.24 138.3 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.867 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 15.9 t80 -121.91 121.9 38.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 1.0 111.186 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -102.66 142.8 33.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.047 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.06 140.69 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 1.0 110.897 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.1 m-20 -100.26 151.1 37.44 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.495 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -42.14 -44.11 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.757 2.304 . . . . 1.0 112.11 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.2 -9.32 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.558 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 105.81 -8.87 43.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 18.1 m80 -74.46 145.99 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 1.0 110.632 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -131.28 155.03 21.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.9 p -134.63 157.49 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.02 109.12 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.672 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 t -105.09 -2.25 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.41 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.68 130.4 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.571 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' OE1' ' OG ' ' A' ' 76' ' ' SER . 12.3 tm-20 -164.14 141.18 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.18 148.15 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.646 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -135.77 146.17 47.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.626 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.87 149.05 16.72 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 42.58 31.57 1.09 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 42.29 17.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.661 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.1 ttm180 -57.87 -41.88 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.1 mt -116.66 117.91 37.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.593 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.36 168.15 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.774 2.316 . . . . 1.0 112.077 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 78' ' ' LEU . 35.0 t -98.94 123.32 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.643 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.16 10.38 34.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' H ' ' HG ' ' A' ' 76' ' ' SER . 22.2 tp -57.46 133.78 55.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.467 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.66 -12.01 66.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.9 mt -82.52 143.33 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 1.0 110.5 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.1 p -111.82 148.55 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.459 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 20.9 m-85 -118.27 148.13 43.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.5 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 40.6 Cg_endo -74.22 138.65 25.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.689 2.259 . . . . 1.0 112.124 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.756 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.73 -17.45 2.13 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 24.7 p-10 -73.35 -9.63 58.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 1.0 110.556 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.52 ' O ' ' O ' ' A' ' 88' ' ' PRO . 96.7 mt -134.82 94.57 16.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.581 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.1 Cg_exo -39.88 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.852 2.368 . . . . 1.0 112.122 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.459 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.3 tt0 -164.99 -50.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.631 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.5 pt-20 -46.82 -43.2 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.694 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -72.22 -41.76 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.774 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -59.85 -32.66 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.695 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -64.27 -35.51 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.94 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.584 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.543 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 67.9 m-85 -69.02 -35.93 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.715 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.603 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 42.1 ttp180 -87.48 -19.38 28.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' N ' HE22 ' A' ' 99' ' ' GLN . 58.2 mt -96.13 -50.22 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.206 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.11 -14.7 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.183 -172.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.754 ' NE2' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.63 56.56 5.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.81 -179.262 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 9.1 m -159.75 124.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.355 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.485 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -171.62 127.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 177.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.47 153.78 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.636 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.29 129.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.618 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.482 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 16.7 t -86.39 173.61 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.393 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.482 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 56.4 m-20 -48.99 117.54 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.532 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 34.9 t -51.41 -12.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.617 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 105' ' ' ASP . 43.1 tp10 -76.75 -34.67 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.494 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.27 -13.83 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.527 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.69 ' NE2' HH21 ' A' ' 111' ' ' ARG . 50.4 tt0 52.64 69.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 p -89.51 123.73 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.248 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.69 HH21 ' NE2' ' A' ' 109' ' ' GLN . 53.7 mtt85 -109.04 134.39 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 1.0 110.929 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.913 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.92 0.391 . . . . 1.0 110.654 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.15 141.35 16.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.896 2.398 . . . . 1.0 112.278 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.65 135.57 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.4 m-20 -40.81 140.39 1.07 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.15 -18.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.922 2.415 . . . . 1.0 111.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.626 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -79.74 -31.13 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.089 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.99 -63.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -58.99 -41.92 88.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -46.13 -41.67 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.287 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.77 -44.8 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.426 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.527 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.8 p -65.84 -17.79 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.586 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.471 ' CE ' HH22 ' A' ' 50' ' ' ARG . 16.5 mmm -95.49 -1.08 51.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.462 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.46 20.26 72.2 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.2 t -109.67 143.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.862 0.363 . . . . 1.0 110.631 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.5 -47.09 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.168 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.5 p -131.08 120.2 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.081 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.0 p -131.69 143.32 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 111.048 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.49 136.47 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.08 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.3 127.3 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 1.0 111.039 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 166' ' ' LEU . 8.2 t -132.68 120.79 16.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.999 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -78.62 150.81 24.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.965 2.443 . . . . 1.0 112.75 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.0 mt -113.95 110.0 19.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.13 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 ptm -135.08 160.87 36.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 1.0 110.713 -175.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.553 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 40.1 t-80 -131.97 122.51 25.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.485 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 0.5 OUTLIER 62.42 -104.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 13.9 pt20 -116.8 -6.86 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.491 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -101.5 150.46 23.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.588 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.89 125.23 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.45 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -99.29 -42.38 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.635 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.3 -177.27 34.25 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.151 -0.78 . . . . 1.0 111.151 -176.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' TYR . 55.3 mt -135.99 137.81 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.662 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 154' ' ' VAL . 4.8 tp -105.08 151.18 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.195 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.5 p -158.81 135.16 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 1.0 111.05 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.0 p -117.47 135.9 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.172 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 48' ' ' THR . 74.3 m-70 -116.51 134.98 54.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.022 -178.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' A' ' 172' ' ' GLU . 3.8 t60 -130.85 136.81 48.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.428 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -84.36 36.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.648 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' A' ' 170' ' ' HIS . 9.8 mp0 -158.28 152.78 20.5 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.486 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.539 ' O ' ' O ' ' A' ' 174' ' ' ARG . 39.8 Cg_endo -67.66 -97.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.859 2.373 . . . . 1.0 112.161 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.539 ' O ' ' O ' ' A' ' 173' ' ' PRO . 9.5 tpt180 55.25 122.8 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.367 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.07 166.88 25.95 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.875 2.384 . . . . 1.0 112.221 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -107.67 147.84 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.5 m -90.41 152.78 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.584 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.06 -29.81 70.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.377 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -79.98 -55.13 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.436 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.37 -37.35 80.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.445 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.83 -45.74 82.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.232 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.62 -50.28 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.275 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 53.1 t -44.19 -44.99 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.142 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.34 -49.94 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.204 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.27 -33.85 9.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.96 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -44.31 63.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.889 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.89 -44.4 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.83 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.14 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.783 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -61.53 -36.94 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.786 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.54 -29.3 67.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.854 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.28 -48.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.041 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 p -54.7 -32.29 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.97 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 37.2 mt -69.03 -33.58 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.1 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.29 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.299 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 10.7 mt -55.86 -49.37 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.224 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.553 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -66.62 -49.73 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.23 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.72 -47.5 86.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.21 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.83 76.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.306 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -52.29 -42.16 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.457 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.0 tp -48.47 -36.1 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.457 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.4 m -50.18 -60.21 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.064 -0.97 . . . . 1.0 110.549 179.721 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.72 -32.88 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.13 -50.81 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.66 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -56.66 -49.38 78.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.631 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' O ' ' OG1' ' A' ' 38' ' ' THR . 54.9 mt -56.14 -31.83 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.595 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.4 ttt180 -63.92 -41.01 97.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.833 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.77 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 74.8 p -67.99 -36.27 79.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.664 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.8 p -70.71 -24.87 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.698 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.04 -35.01 64.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.731 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.49 -37.82 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.674 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.4 t -58.98 -56.52 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.753 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.775 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ptm180 -51.61 -42.92 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.539 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.9 mt -93.75 -13.75 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.576 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.78 25.41 15.36 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.6 p -74.79 142.34 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 1.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.1 m-20 -43.35 -47.98 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.52 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.541 HH22 ' CE ' ' A' ' 146' ' ' MET . 30.8 ptt180 -150.89 145.77 25.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 1.0 110.871 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 8.0 p -150.57 137.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.917 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.678 ' HZ1' ' CE1' ' A' ' 169' ' ' HIS . 12.2 pttm -138.93 155.21 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 1.0 111.162 -177.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.33 138.4 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.822 176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.459 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.5 t80 -124.16 126.64 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 1.0 111.229 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -107.14 146.18 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.99 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.26 140.86 36.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 1.0 110.867 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.2 m-20 -100.42 152.17 37.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.503 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -40.82 -46.48 4.85 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.841 2.361 . . . . 1.0 112.088 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -71.64 -13.14 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 108.41 -6.25 33.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 57' ' ' ASP . 56.5 m80 -74.33 144.65 44.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 1.0 110.512 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -129.5 152.88 19.69 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -133.64 156.71 47.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.89 111.06 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.65 -0.46 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.443 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.76 127.99 6.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 75.9 tt0 -162.49 141.67 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.501 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.74 142.89 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.569 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.538 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 66.2 mtp180 -107.14 134.53 50.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.59 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -87.03 118.0 4.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.72 43.92 16.63 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 40.14 36.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 1.0 110.609 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -75.8 -49.09 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.554 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' NE ' ' A' ' 69' ' ' ARG . 35.3 mt -120.91 135.45 24.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.46 167.3 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.755 2.303 . . . . 1.0 112.051 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -107.96 126.81 53.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.671 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.545 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 12.7 mt -84.3 21.84 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.7 130.09 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.73 -8.94 75.92 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.4 mt -84.99 143.37 28.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 1.0 110.544 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.4 p -111.5 149.91 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 21.3 m-85 -116.51 146.34 37.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.468 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -70.23 146.57 57.65 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.743 2.296 . . . . 1.0 112.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -70.24 -40.35 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.764 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.47 -15.06 1.09 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 84' ' ' ALA . 54.8 t0 -71.87 -27.28 62.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 1.0 110.508 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.56 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.1 mm -111.82 102.63 53.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.586 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.8 Cg_exo -45.61 -117.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.863 2.376 . . . . 1.0 112.126 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -159.24 -54.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -46.33 -42.94 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.706 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -73.03 -46.5 51.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -54.13 -33.28 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.59 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.73 -33.61 76.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.56 -33.39 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.541 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 16.6 m-85 -70.81 -35.85 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.604 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 38.5 mtm180 -86.39 -18.91 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.81 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.638 ' N ' HE22 ' A' ' 99' ' ' GLN . 82.4 mt -100.4 -48.7 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.163 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 -16.12 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.146 -173.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.796 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 43.33 56.82 4.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.806 -179.217 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.6 123.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.453 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.66 HH11 ' HE ' ' A' ' 133' ' ' ARG . 15.3 tpt180 -165.27 127.16 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.454 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.2 t -145.73 150.71 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.63 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.7 mt -109.59 127.41 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.64 172.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -52.87 118.24 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.42 -19.51 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.635 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -66.18 -42.57 88.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.413 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -61.71 -0.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.534 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 107' ' ' GLU . 15.9 pt20 39.84 67.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.754 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -92.43 123.83 36.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.21 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.929 0.395 . . . . 1.0 110.993 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.481 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.857 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.66 ' HE ' HH11 ' A' ' 101' ' ' ARG . 9.0 mmm180 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.964 0.412 . . . . 1.0 110.562 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -48.79 142.04 19.86 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.943 2.429 . . . . 1.0 112.282 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.93 132.1 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.378 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -41.89 151.86 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.742 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -47.72 -12.05 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.941 2.427 . . . . 1.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.461 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -60.47 -46.8 88.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.6 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -24.25 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 45.0 t -58.67 -56.31 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.254 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -70.21 -50.13 43.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -47.75 -47.17 30.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.273 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.91 -47.85 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.487 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -57.04 -43.17 81.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.566 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.6 p -66.88 -20.09 65.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.591 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.541 ' CE ' HH22 ' A' ' 50' ' ' ARG . 17.8 mmm -93.58 -3.24 53.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.81 21.47 68.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.19 142.64 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 1.0 110.674 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.37 -45.96 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.226 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.4 p -132.78 118.69 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.063 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.9 p -129.1 142.78 50.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.968 0.413 . . . . 1.0 110.948 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -101.7 133.15 46.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.069 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.15 127.66 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.086 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.7 t -131.86 117.57 16.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.019 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.67 152.41 33.16 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.945 2.43 . . . . 1.0 112.799 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 54.8 mt -115.45 111.96 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.155 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.0 ptm -135.17 158.53 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.0 110.682 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.631 ' NE2' ' CD2' ' A' ' 159' ' ' HIS . 83.8 t60 -132.31 127.97 36.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.435 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.631 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 4.8 m-70 59.44 -103.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -119.52 -6.61 10.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.48 -177.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.422 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 11.9 pt-20 -104.58 157.04 17.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.644 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.2 128.26 54.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.469 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.422 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 13.7 m95 -102.06 -43.72 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.71 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.55 -176.93 33.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -176.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.03 142.23 36.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.879 0.371 . . . . 1.0 110.683 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.9 tp -105.28 152.41 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.142 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 15.0 p -158.53 134.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 1.0 111.046 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.3 p -117.54 141.83 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.124 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.678 ' CE1' ' HZ1' ' A' ' 52' ' ' LYS . 18.2 m80 -116.25 133.44 56.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.953 0.406 . . . . 1.0 111.052 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.714 ' ND1' ' N ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER -124.63 129.59 50.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.373 177.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -87.85 25.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 45.6 mt-10 -159.69 150.64 15.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.528 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.05 128.83 19.35 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.817 2.345 . . . . 1.0 112.282 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -165.74 91.96 0.86 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.374 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.07 163.63 3.13 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.901 2.401 . . . . 1.0 112.17 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.423 ' OH ' ' NE2' ' A' ' 170' ' ' HIS . 88.2 m-85 -111.6 146.11 37.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.447 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' SER . . . . . 0.554 ' HG ' ' H ' ' A' ' 180' ' ' GLU . 89.2 p -106.16 158.57 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.642 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.75 -42.74 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.428 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 46.5 mp0 -60.42 -43.43 96.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.554 ' H ' ' HG ' ' A' ' 177' ' ' SER . 79.0 mm-40 -83.76 -11.42 57.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.362 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 177' ' ' SER . 20.6 tp -72.56 -48.32 41.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.305 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.448 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 13.4 pt20 -69.9 -43.43 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.25 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 53.6 t -45.87 -54.54 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.107 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 185' ' ' GLN . 7.2 p -77.41 -52.52 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.457 ' N ' ' CG1' ' A' ' 184' ' ' VAL . 54.5 tp60 -51.14 -40.55 58.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.943 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 182' ' ' GLN . 28.6 tp -73.04 -45.52 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.938 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.3 -43.66 53.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 1.0 109.792 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.07 97.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.724 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.88 -36.44 76.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 1.0 109.794 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -69.32 -29.3 67.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.899 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.16 -48.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.061 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.5 m -53.71 -33.51 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.043 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 40.8 mt -68.68 -33.97 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.57 85.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.237 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.4 mt -56.42 -48.64 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.227 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.433 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -67.2 -49.86 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.26 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.54 -46.8 88.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.251 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.455 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.1 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.268 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -52.93 -42.41 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.474 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.79 -27.75 2.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.447 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 79.5 p -49.73 -59.91 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.904 -1.046 . . . . 1.0 110.52 179.729 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -53.94 -33.15 55.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.31 -47.85 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.619 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.06 -43.63 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' HG21 ' A' ' 38' ' ' THR . 79.9 mt -61.83 -32.25 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -75.14 -41.55 58.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.759 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.1 -29.95 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.721 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.527 HG21 ' O ' ' A' ' 35' ' ' LEU . 2.4 t -71.0 -35.04 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.708 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.44 -23.44 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.71 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.13 -44.2 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.72 -36.79 70.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.665 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.93 -53.54 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.733 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 47' ' ' GLY . 22.0 ttp-105 -52.76 -43.55 65.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.733 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.02 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.646 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.16 -38.13 89.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.591 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.69 -15.29 24.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.582 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.06 24.61 9.03 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 96.2 m -76.09 144.95 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.629 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' THR . 91.6 m-20 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.522 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.641 HH21 ' CG2' ' A' ' 148' ' ' VAL . 36.7 ptt180 -150.35 146.91 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.895 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.8 t -141.58 133.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.924 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.567 ' NZ ' ' CD1' ' A' ' 77' ' ' LEU . 41.5 mttt -133.77 145.86 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 1.0 111.137 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.1 t -98.27 138.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 1.0 109.857 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.54 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 17.5 t80 -121.15 119.52 32.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 1.0 111.204 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -93.32 133.87 36.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.991 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -99.64 132.16 45.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 1.0 110.928 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 61' ' ' HIS . 1.0 OUTLIER -101.18 150.9 37.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.465 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.48 -32.38 26.83 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.891 2.394 . . . . 1.0 112.127 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 98.0 mt-10 -79.05 -7.19 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.551 -177.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.68 -16.3 54.86 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.552 ' NE2' ' OD2' ' A' ' 57' ' ' ASP . 22.5 p-80 -80.1 152.77 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 1.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.33 163.82 26.0 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -136.1 159.93 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 1.0 110.601 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 t -92.42 108.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.631 178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 t -105.75 -0.97 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.453 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.51 130.75 7.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.552 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.4 tm-20 -162.5 139.99 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.466 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.54 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.618 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.536 ' NE ' ' OE1' ' A' ' 72' ' ' GLU . 36.8 ptt180 -135.81 146.01 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.546 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.6 149.57 16.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.55 31.74 0.42 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' NE ' ' A' ' 69' ' ' ARG . 79.8 mm-40 42.45 18.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 40.0 ttm180 -58.24 -40.17 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.61 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 mt -118.19 120.1 32.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.612 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.29 167.8 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.728 2.286 . . . . 1.0 112.013 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 p -99.82 130.02 45.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.567 ' CD1' ' NZ ' ' A' ' 52' ' ' LYS . 18.4 mt -102.04 14.71 31.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.445 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.14 135.0 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.13 -9.17 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.5 mt -83.98 144.98 28.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 110.546 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -105.83 134.65 48.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -105.53 113.9 63.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 1.0 110.456 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.03 145.16 5.44 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.649 2.233 . . . . 1.0 112.185 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.24 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.825 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.79 -20.6 8.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.72 -8.09 44.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.504 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.592 ' O ' ' O ' ' A' ' 88' ' ' PRO . 3.1 mt -134.99 101.4 11.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.631 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.592 ' O ' ' O ' ' A' ' 87' ' ' ILE . 82.4 Cg_exo -43.58 -117.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.889 2.392 . . . . 1.0 112.12 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -160.69 -41.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.535 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 88.6 tt0 -55.66 -45.06 77.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.691 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' O ' ' HD1' ' A' ' 95' ' ' PHE . . . -68.82 -36.35 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.795 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -63.87 -33.94 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.724 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -63.73 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.7 -35.77 73.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.55 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 86.8 m-85 -68.74 -34.78 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.583 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 84.2 mtm-85 -88.64 -20.21 25.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.848 -178.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.504 ' N ' HE22 ' A' ' 99' ' ' GLN . 75.6 mt -95.46 -51.29 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.157 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.2 -12.33 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.147 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.746 ' NE2' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.54 51.1 10.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.88 -178.664 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.0 t -152.94 119.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.458 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.448 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -167.46 126.04 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.48 178.097 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.9 t -145.07 152.3 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.673 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.7 mt -106.67 126.64 62.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.56 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.418 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 10.2 t -84.38 171.13 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.46 -177.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.418 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 32.5 m-20 -52.24 116.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.615 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.03 -16.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.46 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -67.36 -42.59 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.399 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.1 -1.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.512 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.7 pt20 40.16 66.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.722 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.45 124.71 35.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.245 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -111.54 141.5 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.961 0.41 . . . . 1.0 111.077 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.439 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 1.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.949 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.869 0.366 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -47.54 139.82 17.22 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.925 2.417 . . . . 1.0 112.356 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.1 m -87.37 159.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.352 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.2 OUTLIER -88.68 138.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.776 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -41.1 -32.53 1.04 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.9 2.4 . . . . 1.0 111.824 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -72.26 -34.44 68.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 178.078 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 136' ' ' ASP . 6.8 t60 -87.2 -25.6 23.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.099 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 70.5 t -57.38 -54.74 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.222 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -46.45 -44.65 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.34 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 mt -73.88 -45.08 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.436 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -55.41 -44.32 76.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.558 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -64.22 -16.53 62.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.622 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 36.4 mmm -96.44 -1.8 46.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.87 21.94 73.05 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.641 ' CG2' HH21 ' A' ' 50' ' ' ARG . 98.6 t -103.87 138.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 1.0 110.67 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.35 -52.86 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.202 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 172' ' ' GLU . 44.2 p -132.83 114.59 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.986 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.8 p -131.82 145.72 51.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.049 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.86 132.25 47.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.059 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.87 103.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 111.037 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 166' ' ' LEU . 91.6 t -108.15 120.67 46.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.108 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.24 159.07 26.46 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.949 2.433 . . . . 1.0 112.756 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.1 mt -123.09 111.98 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.124 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.7 ptm -133.45 157.7 44.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 1.0 110.679 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.572 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 55.3 t-80 -132.62 123.21 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.549 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 66.96 -111.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.497 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -114.88 -7.12 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.514 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 162' ' ' LEU . 25.5 tp10 -102.89 154.05 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -176.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.523 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 16.3 tp -105.53 127.44 53.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.447 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -100.72 -40.34 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.633 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.54 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.89 -176.38 35.72 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -176.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.9 mp -138.68 146.56 41.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.338 . . . . 1.0 110.654 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 154' ' ' VAL . 5.3 tp -109.59 154.53 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.16 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -160.95 138.66 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 1.0 110.991 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 10.5 m -118.44 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.184 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.522 ' O ' ' CG2' ' A' ' 48' ' ' THR . 18.9 m80 -109.35 130.74 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.025 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.41 128.09 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.83 39.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.416 ' O ' ' OG ' ' A' ' 150' ' ' SER . 1.9 pt-20 -163.13 154.82 15.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.582 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 174' ' ' ARG . 53.4 Cg_endo -70.41 -99.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.734 2.29 . . . . 1.0 112.264 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 173' ' ' PRO . 17.9 mtp-105 56.47 131.11 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 1.0 110.349 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.19 162.6 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.809 2.339 . . . . 1.0 112.199 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -108.74 155.26 20.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.444 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 88.6 p -112.95 152.4 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . 0.509 ' N ' ' OE1' ' A' ' 178' ' ' GLN . 1.1 mp0 -63.38 -37.25 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.495 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.85 -58.31 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.338 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.13 -25.1 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.447 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.39 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.337 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.51 -52.07 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.274 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.22 -49.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.067 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -50.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.114 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -51.29 -40.23 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.92 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.46 -47.54 32.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.994 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.61 -45.39 57.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.82 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.67 98.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.824 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -60.99 -37.95 84.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.741 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.77 -30.31 68.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 42.6 t -75.54 -49.57 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.978 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.409 ' O ' ' CG1' ' A' ' 195' ' ' ILE . 26.5 p -51.66 -27.08 10.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.0 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 193' ' ' ILE . 45.2 mt -76.67 -34.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.13 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.97 96.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.198 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 196' ' ' ALA . 14.8 pt -68.32 -27.82 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.212 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.572 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -73.06 -52.62 13.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.279 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' A' ' 198' ' ' ALA . 3.4 pp0? -69.4 -37.18 77.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.256 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 197' ' ' GLN . . . -66.35 -36.26 82.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.86 -41.58 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.413 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.27 -33.1 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.3 m -52.99 -58.43 7.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.46 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.897 -1.049 . . . . 1.0 110.515 179.587 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 49.5 t0 -48.5 -34.09 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.652 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.73 -48.0 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.7 mm -59.45 -46.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.616 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.547 ' O ' ' OG1' ' A' ' 38' ' ' THR . 38.0 mt -57.93 -31.38 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.591 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -65.91 -41.63 91.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.747 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -26.58 60.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.74 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.547 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 43.7 p -66.07 -37.98 87.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.617 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -24.74 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.777 -179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.2 -36.77 66.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.2 -37.37 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.761 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.67 -57.73 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.69 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.1 ptm180 -49.56 -42.76 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -58.49 -50.41 73.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.66 -43.21 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.529 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.63 -11.91 30.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 53.74 25.42 29.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 78.7 m -73.85 137.56 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 1.0 110.584 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.1 p30 -54.1 -40.65 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.466 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.578 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 39.1 ttt180 -144.32 128.92 18.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.881 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.46 132.83 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.971 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.64 152.5 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 1.0 111.23 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.89 138.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.928 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 165' ' ' LEU . 19.4 t80 -118.73 117.51 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 1.0 111.194 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -92.28 130.76 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.063 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 72.1 t80 -97.48 126.71 42.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 1.0 110.89 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 6.9 m-20 -94.04 162.16 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.4 -22.94 44.77 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.88 2.387 . . . . 1.0 112.1 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.51 1.69 54.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.582 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.17 -17.27 59.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.3 m-70 -77.72 149.61 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 1.0 110.638 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.491 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.29 159.68 24.82 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.5 p -135.02 157.96 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 1.0 110.547 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 64' ' ' VAL . 2.2 p -95.23 112.56 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.649 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.6 t -108.34 0.33 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.407 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.39 129.74 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.527 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' OE2' ' NH2' ' A' ' 50' ' ' ARG . 34.4 tt0 -162.1 142.09 10.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.57 142.52 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.602 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.6 ptt-85 -125.74 142.42 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.665 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.75 122.6 7.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 58.37 36.45 83.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 42.43 18.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 1.0 110.55 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' GLY . 10.8 tpp180 -56.61 -44.73 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.555 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.58 121.14 43.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.597 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.517 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 77.6 Cg_exo -49.76 166.88 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.81 2.34 . . . . 1.0 112.004 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.7 t -96.41 141.12 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.664 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.448 ' HG ' HH22 ' A' ' 50' ' ' ARG . 17.3 mt -117.91 4.72 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.436 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.07 138.04 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.52 -176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.02 -7.17 82.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.774 -0.931 . . . . 1.0 110.774 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.2 143.75 27.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 1.0 110.55 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 m -103.62 131.7 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -100.99 137.71 19.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 39.2 Cg_endo -73.36 131.14 15.96 Favored 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 122.747 2.298 . . . . 1.0 112.137 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' O ' ' OD1' ' A' ' 86' ' ' ASP . . . -56.32 -32.83 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.809 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.5 -18.66 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 37.2 p-10 -63.87 -23.6 67.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 1.0 110.461 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 20.2 mt -138.33 94.2 10.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.605 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -34.51 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.849 2.366 . . . . 1.0 112.075 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -171.4 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -56.94 -43.95 82.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.602 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.3 -38.85 75.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.769 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -63.18 -33.32 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.03 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.21 -36.37 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.513 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -68.33 -30.74 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -93.2 -21.36 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.837 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.616 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 66.3 mt -92.65 -49.82 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.136 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -10.99 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.131 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.616 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 4.1 mp0 43.19 57.36 3.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.838 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.4 p -158.86 121.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 -168.49 130.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.444 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.2 t -146.18 151.9 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.575 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.52 128.4 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.436 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 11.3 t -85.44 172.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.445 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 107' ' ' GLU . 65.4 t0 -52.75 116.81 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.527 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -48.97 -14.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.5 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 105' ' ' ASP . 82.8 tt0 -67.73 -41.86 82.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.456 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.488 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -65.08 -2.24 2.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.558 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.2 pt20 39.49 68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.672 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 p -89.69 124.96 35.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.246 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -111.78 141.32 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 1.0 110.987 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.06 153.17 36.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.891 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.6 mt -152.53 159.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.021 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.8 m -76.18 173.04 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.394 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -149.25 150.55 32.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 1.0 110.602 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.36 -29.66 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.886 2.391 . . . . 1.0 112.023 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -61.5 -37.09 82.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 119' ' ' TRP . 47.1 t 42.71 -113.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.504 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' SER . 75.4 t-105 43.83 96.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -79.83 155.09 38.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 8.4 mp -93.03 140.61 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.7 p -73.25 166.9 22.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.504 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.59 -42.1 87.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.57 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.24 155.24 60.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.631 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.53 152.63 26.2 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.859 2.373 . . . . 1.0 112.088 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 mt -51.33 -55.04 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.556 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.81 37.43 93.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -117.63 153.47 50.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 1.0 110.588 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.76 153.35 75.91 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.943 2.429 . . . . 1.0 112.241 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.79 -8.64 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.503 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -134.95 159.43 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.509 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -133.77 119.97 15.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.563 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 141.47 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 123.001 2.467 . . . . 1.0 112.27 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 136' ' ' ASP . 27.0 m -115.07 126.2 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.343 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -38.34 154.78 0.13 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.783 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.91 -38.12 93.57 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.003 2.469 . . . . 1.0 111.744 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.555 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -56.79 -30.55 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.591 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.444 ' NE2' ' NA ' ' A' ' 301' ' ' CYC . 1.6 t60 -86.58 -30.93 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.183 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 62.6 t -57.26 -52.2 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.258 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -60.99 -45.0 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -46.71 -43.69 18.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.336 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.57 -44.81 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.416 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -54.64 -45.01 73.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -62.78 -15.93 55.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.42 -3.03 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.11 23.08 66.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.4 t -107.79 140.16 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.631 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.45 -51.37 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.232 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.6 m -130.14 115.07 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 168' ' ' SER . 18.2 t -130.89 143.82 51.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 1.0 110.979 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 8.7 mp -102.77 131.74 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.043 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.0 t -111.04 104.33 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.052 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 21.0 t -107.48 122.78 40.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.005 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.11 152.93 24.59 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.929 2.42 . . . . 1.0 112.815 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.7 108.88 15.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.093 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.4 ptm -136.29 165.49 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 1.0 110.622 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.461 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 78.2 t60 -144.89 122.3 11.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.565 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 60.9 t60 76.3 -113.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.525 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -117.63 -4.26 11.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.498 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -106.8 158.66 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.588 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 27.9 tp -107.7 129.11 55.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -99.3 -42.68 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.705 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.28 -176.48 30.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.244 -0.743 . . . . 1.0 111.244 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -139.06 134.02 32.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.353 . . . . 1.0 110.721 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 4.7 tp -102.88 154.57 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.219 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.52 140.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 1.0 111.026 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' A' ' 151' ' ' SER . 48.3 m -118.71 136.17 54.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.181 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.7 m-70 -109.15 126.57 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 1.0 111.044 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.467 ' NE2' ' OG1' ' A' ' 48' ' ' THR . 74.3 m80 -122.83 123.99 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.37 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 172' ' ' GLU . . . -83.46 35.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.628 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 171' ' ' ALA . 1.3 pm0 -173.29 149.87 1.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.553 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.05 138.18 51.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.832 2.355 . . . . 1.0 112.186 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -167.46 93.28 0.68 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 158.19 8.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.845 2.363 . . . . 1.0 112.239 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -110.14 148.23 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.413 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 181' ' ' LEU . 46.3 m -107.33 154.13 21.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.628 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -53.55 -41.82 66.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.385 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -53.83 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.366 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.21 -31.54 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.383 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 177' ' ' SER . 58.3 tp -61.97 -39.5 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.234 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 186' ' ' LEU . 48.8 tt0 -65.2 -47.53 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.258 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.0 t -46.19 -54.32 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.101 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 185' ' ' GLN . 6.4 p -76.44 -52.56 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.189 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.426 ' N ' ' CG1' ' A' ' 184' ' ' VAL . 56.5 tp60 -52.3 -40.1 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 1.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 182' ' ' GLN . 34.2 tp -74.44 -47.11 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.8 tp -49.51 -43.33 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.826 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.02 -38.67 89.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.768 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 190' ' ' GLN . 1.9 mp0 -67.51 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.888 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.61 -47.58 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.069 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.03 -33.64 57.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.982 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.73 -33.93 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.068 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.26 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.77 -34.46 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.187 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.4 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -74.98 -54.24 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.258 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.508 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 1.4 pt20 -63.53 -41.46 98.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.222 -176.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.2 -33.63 75.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.303 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -53.54 -43.96 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.407 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.2 mt -48.61 -35.78 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.443 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -56.68 -61.41 2.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.519 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.526 179.687 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.617 ' H3C' HMD1 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 1.0 110.591 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -52.32 -32.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.673 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -50.44 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.692 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 34' ' ' ILE . 96.7 mt -57.3 -47.68 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.627 ' CD1' HH21 ' A' ' 55' ' ' ARG . 41.5 mt -56.44 -32.11 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.593 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -62.54 -41.93 99.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.789 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.09 -26.74 59.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.787 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.534 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 75.0 p -67.75 -37.64 82.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.704 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.3 p -68.24 -26.26 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.702 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.17 -36.25 40.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.31 -53.24 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.691 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 43' ' ' ARG . 21.7 m -52.45 -46.04 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.813 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.778 ' O ' ' N ' ' A' ' 47' ' ' GLY . 45.0 ttp180 -47.76 -46.01 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -47.11 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -63.49 -41.6 98.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -95.94 -11.69 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.516 -178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.778 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.62 28.19 3.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.8 p -76.27 142.3 41.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 1.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -53.03 -41.51 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.506 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 47.2 ttt85 -143.56 135.31 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.897 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 p -147.49 132.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.006 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.696 ' CE ' HBB1 ' A' ' 301' ' ' CYC . 10.4 pttm -136.61 151.37 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 1.0 111.225 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.9 139.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.851 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 16.8 t80 -122.34 121.0 35.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.871 0.367 . . . . 1.0 111.265 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.627 HH21 ' CD1' ' A' ' 35' ' ' LEU . 38.3 ttm180 -100.27 140.06 35.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.94 139.05 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 1.0 110.857 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.0 m-20 -100.36 152.39 37.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.478 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -41.1 -45.99 5.27 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.831 2.354 . . . . 1.0 112.114 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.5 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.628 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 106.04 -7.23 40.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 70.2 m80 -76.87 148.74 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 1.0 110.599 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.93 160.52 24.62 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.8 p -137.06 160.54 38.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -91.87 108.61 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -107.03 -3.9 10.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.42 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.67 127.6 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.533 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -162.06 141.33 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.412 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.19 138.21 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.647 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' OG ' ' A' ' 76' ' ' SER . 5.3 ptp180 -114.15 139.02 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.93 118.72 6.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 57.09 41.79 92.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 42.0 mp0 40.18 22.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 1.0 110.561 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 55.3 ttm-85 -60.09 -42.41 94.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.542 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.7 mt -116.5 145.97 36.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.518 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.534 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 46.7 Cg_endo -68.96 167.88 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.754 2.303 . . . . 1.0 112.125 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.533 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 70.8 m -97.21 127.7 43.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.726 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.6 mt -97.38 12.81 31.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.46 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.4 mt -60.4 132.85 55.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.17 -12.35 62.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.0 mt -81.4 143.95 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.311 . . . . 1.0 110.601 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 m -104.98 131.71 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.29 140.08 20.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.445 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.8 Cg_endo -71.88 137.6 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.141 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -66.24 -33.31 75.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.76 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.6 -15.96 0.55 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 84' ' ' ALA . 49.1 p-10 -67.9 -21.54 65.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.417 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 63.4 mt -133.14 92.37 25.43 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.493 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 67.5 Cg_exo -35.44 -96.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.912 2.408 . . . . 1.0 112.035 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.512 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 83.8 tt0 -167.91 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -53.37 -44.76 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.666 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' CB ' HBD2 ' A' ' 301' ' ' CYC . . . -70.1 -33.11 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.766 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -68.4 -32.73 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.512 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 93.2 mtt-85 -63.24 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.586 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.413 HD13 HH21 ' A' ' 133' ' ' ARG . 7.9 mt -61.64 -34.28 75.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.626 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' A' ' 101' ' ' ARG . 4.5 m-85 -64.96 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.694 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.441 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 51.6 ttp85 -91.78 -20.12 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.78 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.2 mt -90.87 -52.52 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.182 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.497 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -109.18 -12.01 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.133 -173.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.767 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 42.39 56.12 3.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.878 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.495 ' C ' ' HG3' ' A' ' 101' ' ' ARG . 5.8 m -156.54 109.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.448 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.604 HH21 ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -154.88 122.97 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -178.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.76 151.12 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.573 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.05 127.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.585 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.444 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 6.2 p -85.59 173.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.384 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' H ' ' CG2' ' A' ' 104' ' ' VAL . 67.6 t0 -50.06 117.85 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.79 -18.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.591 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -72.43 -38.06 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.437 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.75 -13.54 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.576 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 54.48 66.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.718 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -97.84 123.51 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.137 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -112.21 142.52 44.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.966 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.493 ' OG ' ' O ' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -119.91 152.09 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.935 177.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.2 mt -149.63 157.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 1.0 111.011 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 m -73.59 168.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.453 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.88 68.26 0.28 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 1.0 110.675 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.826 2.351 . . . . 1.0 112.043 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 117' ' ' GLU . 47.8 mp0 -65.36 -34.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 119' ' ' TRP . 1.5 t 169.25 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.534 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.419 ' N ' ' OG ' ' A' ' 118' ' ' SER . 9.1 m-90 -58.68 -43.3 89.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.614 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.54 48.81 21.66 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.5 ' C ' ' H ' ' A' ' 123' ' ' ALA . 45.1 mt -56.51 -29.17 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 1.0 110.578 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER 74.44 -19.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.49 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 121' ' ' LEU . . . -54.67 -19.17 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 125' ' ' VAL . 4.6 ptp180 37.72 -140.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.55 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' A' ' 124' ' ' ARG . 7.5 p -135.68 131.74 19.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.585 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 127' ' ' LEU . 82.9 Cg_exo -45.41 135.81 11.94 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.837 2.358 . . . . 1.0 112.164 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.493 ' CD1' ' N ' ' A' ' 127' ' ' LEU . 8.6 mp 39.63 -163.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.72 38.16 8.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.69 151.04 46.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 1.0 110.628 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 132' ' ' GLN . 44.5 Cg_endo -68.93 170.23 16.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.971 2.447 . . . . 1.0 112.234 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.1 mt -74.75 17.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.484 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.507 ' H ' ' C ' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -163.74 135.46 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.553 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.413 HH21 HD13 ' A' ' 94' ' ' LEU . 38.3 ttt-85 -113.46 96.12 38.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.615 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.493 ' O ' ' OG ' ' A' ' 112' ' ' SER . 73.5 Cg_exo -49.46 141.29 25.93 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.942 2.428 . . . . 1.0 112.28 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.65 131.52 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.337 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 138' ' ' CYS . 0.8 OUTLIER -42.0 145.35 0.75 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.725 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.27 -12.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.015 2.477 . . . . 1.0 111.75 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -63.15 -40.34 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.621 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -23.79 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.152 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.8 -64.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.214 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.24 -47.19 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.387 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -47.05 -46.16 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.325 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -47.09 49.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.558 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.4 p -64.9 -16.92 63.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.558 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 20.6 mmm -98.29 -3.74 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.54 21.51 66.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.84 141.33 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 1.0 110.622 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.98 -49.05 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.186 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.5 t -130.2 118.77 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.032 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.4 p -132.72 144.21 50.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.374 . . . . 1.0 110.975 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.5 tt -103.76 131.91 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.081 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.603 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 2.8 t -112.72 132.25 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.057 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 166' ' ' LEU . 4.9 t -134.48 124.02 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.061 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . 0.471 ' HD3' ' NE ' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -78.08 149.8 25.76 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.935 2.423 . . . . 1.0 112.762 -175.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.1 mt -112.52 108.11 17.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.162 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.463 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 15.9 ptm -135.3 156.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 1.0 110.677 -174.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -127.43 122.63 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.504 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.693 ' HE2' HE21 ' A' ' 160' ' ' GLN . 68.8 t60 63.12 -104.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.693 HE21 ' HE2' ' A' ' 159' ' ' HIS . 54.6 mt-30 -116.59 -4.74 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.46 -178.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -102.58 149.42 24.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.669 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -103.18 126.77 50.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.372 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -101.7 -43.68 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.686 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.99 -176.69 32.34 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.156 -0.778 . . . . 1.0 111.156 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.3 mp -138.28 136.3 36.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.362 . . . . 1.0 110.67 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 167' ' ' VAL . 8.9 tp -102.58 151.78 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.455 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.6 p -157.58 137.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 1.0 111.069 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.51 131.98 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.106 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 169' ' ' HIS . 6.8 m-70 -104.5 131.33 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 1.0 111.048 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -125.73 127.69 46.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.339 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -86.51 35.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.683 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 67.0 mt-10 -158.56 147.82 14.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.488 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.45 136.38 19.44 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.792 2.328 . . . . 1.0 112.251 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -172.71 130.92 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.416 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.0 166.03 27.38 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 1.0 112.276 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -113.57 148.34 36.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.47 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.671 ' HG ' ' H ' ' A' ' 180' ' ' GLU . 93.8 p -113.01 153.57 27.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.628 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.37 -37.84 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.421 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -69.6 -54.99 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.386 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.671 ' H ' ' HG ' ' A' ' 177' ' ' SER . 85.2 tt0 -64.64 -35.79 82.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.414 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.63 -38.65 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.312 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 186' ' ' LEU . 49.4 tt0 -60.16 -48.12 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.226 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.5 t -45.05 -52.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.038 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.26 -52.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.16 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -51.97 -34.82 44.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.931 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' GLN . 59.1 tp -75.74 -52.42 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.991 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 mt -50.39 -44.91 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.801 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.53 93.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.816 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -61.77 -37.72 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.739 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -68.21 -31.0 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.875 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.1 -48.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.025 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -34.16 61.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 1.0 109.95 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.93 -32.82 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.114 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.63 84.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.55 -33.56 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.229 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -75.23 -54.26 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.253 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.4 pt20 -63.84 -40.62 97.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.24 -176.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.53 -33.33 74.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.352 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.45 -44.63 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.429 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.3 mt -49.64 -34.64 18.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 12.7 m -53.82 -59.8 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.549 179.592 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.696 HBB1 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.25 -32.3 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.44 -49.3 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.657 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 HG22 HD12 ' A' ' 34' ' ' ILE . 96.5 mt -57.77 -50.26 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.66 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' ' OG1' ' A' ' 38' ' ' THR . 55.3 mt -56.92 -31.47 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.677 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' HG11 ' A' ' 39' ' ' VAL . 23.8 ttm180 -64.07 -40.23 95.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.772 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.16 59.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.565 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 60.5 p -66.33 -36.71 83.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.652 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 2.3 p -67.92 -27.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.749 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.13 -39.67 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.46 -54.85 14.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.675 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.424 ' CG2' ' N ' ' A' ' 43' ' ' ARG . 26.9 m -51.89 -46.21 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.4 ttm180 -45.84 -45.0 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.674 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.82 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.577 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -60.66 -44.24 96.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.4 -9.92 34.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.469 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.01 26.92 0.94 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 36.9 m -75.1 142.45 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.807 0.336 . . . . 1.0 110.574 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -50.94 -43.27 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.453 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.7 mtt85 -144.08 135.69 25.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.952 -176.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.56 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 9.1 p -143.74 133.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.897 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -135.29 149.64 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.001 0.429 . . . . 1.0 111.147 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.8 t -101.01 137.33 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.904 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 23.3 t80 -116.73 116.39 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 1.0 111.239 -177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -94.58 136.18 35.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.048 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.54 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 1.0 110.926 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.9 m-20 -100.88 151.7 37.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.479 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.18 -45.52 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.827 2.351 . . . . 1.0 112.063 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.79 -8.15 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.589 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 103.89 -9.27 51.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.8 m80 -75.39 147.98 39.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 1.0 110.594 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.18 159.8 24.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 p -136.87 160.58 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.8 t -88.32 105.81 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -104.07 -5.94 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.447 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.44 122.53 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.536 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 65.1 tt0 -152.09 138.38 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.517 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.97 133.73 43.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.631 178.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.505 HH21 ' CB ' ' A' ' 76' ' ' SER . 7.5 ptp85 -107.59 135.68 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.664 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.4 5.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 48.98 42.38 30.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 40.65 22.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 1.0 110.58 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 77.9 ttt180 -54.9 -46.28 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.615 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.5 mp -114.54 162.97 20.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.61 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.35 167.66 24.56 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.736 2.29 . . . . 1.0 111.995 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.505 ' CB ' HH21 ' A' ' 69' ' ' ARG . 25.5 t -97.92 122.23 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.612 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 27.9 mt -96.13 12.11 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.409 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.13 136.92 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.492 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.5 76.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.5 mt -85.86 146.95 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 1.0 110.495 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -106.94 136.48 46.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.437 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -103.53 140.95 21.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.492 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -70.77 137.05 31.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.746 2.297 . . . . 1.0 112.168 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.18 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.11 -16.67 1.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -67.83 -27.65 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 1.0 110.543 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.637 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.2 mm -106.74 105.3 54.58 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.521 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.637 ' O ' ' O ' ' A' ' 87' ' ' ILE . 84.6 Cg_exo -47.12 -131.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.961 2.441 . . . . 1.0 112.048 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -145.55 -53.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -53.32 -42.92 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.636 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.92 73.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.774 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -61.89 -36.96 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.7 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -62.58 -35.62 80.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.73 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 89.8 m-85 -68.76 -32.57 72.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.7 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.586 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 34.0 ttm180 -86.43 -20.36 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.785 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.681 ' N ' HE22 ' A' ' 99' ' ' GLN . 6.3 mt -101.9 -50.75 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.15 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.97 -16.45 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.16 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.787 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 44.13 52.69 6.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.82 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 13.1 m -160.01 128.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.371 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' NH2' ' O1D' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -172.44 129.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.483 177.467 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.67 153.02 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.646 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.71 127.79 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.655 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.414 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 6.5 t -84.34 172.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.49 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.414 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 59.7 m-20 -50.4 115.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.502 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.7 t -50.45 -15.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.9 tt0 -74.2 -36.93 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.8 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 54.05 66.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.292 176.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -111.87 140.57 46.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 1.0 111.016 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.44 162.43 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.813 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -164.08 171.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.938 0.399 . . . . 1.0 111.04 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.8 m -76.16 170.12 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.363 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 117' ' ' GLU . 60.7 mt-30 -156.12 148.69 17.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.665 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.54 -25.18 0.17 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.925 2.416 . . . . 1.0 112.008 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 115' ' ' GLN . 95.5 mt-10 -80.6 -174.11 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t 63.44 52.58 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.539 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -81.97 -22.17 36.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.12 -34.13 0.52 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.4 tp -89.19 136.31 33.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 1.0 110.596 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.7 t -139.34 -152.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.441 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.626 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -78.25 -4.48 48.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.566 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 68.1 -33.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.532 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.626 ' H ' ' C ' ' A' ' 123' ' ' ALA . 17.6 t -135.16 132.46 20.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.5 123.62 5.82 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.752 2.302 . . . . 1.0 112.118 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 65.9 tp -177.43 132.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.44 40.06 24.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.23 108.36 57.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.4 160.97 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.959 2.439 . . . . 1.0 112.261 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.441 ' O ' ' OH ' ' A' ' 176' ' ' TYR . 54.2 mt -71.61 -28.0 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.504 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 132.32 46.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -178.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -122.46 141.36 34.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.573 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.16 142.07 18.98 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.927 2.418 . . . . 1.0 112.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 136' ' ' ASP . 33.6 m -114.96 127.49 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.376 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -36.91 140.39 0.44 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.784 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.22 -40.99 16.82 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.967 2.445 . . . . 1.0 111.788 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.585 ' SG ' HMD3 ' A' ' 301' ' ' CYC . 0.5 OUTLIER -53.34 -29.86 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.56 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.58 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 4.1 t60 -88.18 -28.9 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.14 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.92 -49.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.235 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.91 -45.89 80.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.389 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -45.89 -41.57 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.269 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.23 -42.21 55.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.428 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -56.95 -45.23 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 t -63.13 -15.77 57.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.564 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 50.9 mmm -98.0 -1.22 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.9 20.9 72.52 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.7 t -107.1 140.96 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 1.0 110.696 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.85 -50.42 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.163 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.2 p -132.45 115.21 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.054 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.5 p -131.99 145.33 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.02 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.67 130.57 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.074 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.9 t -112.72 106.67 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 1.0 111.018 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 t -109.67 122.34 39.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.023 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.77 153.26 33.44 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.911 2.407 . . . . 1.0 112.765 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 55.8 mt -115.72 110.26 18.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.103 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -134.55 156.05 49.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 1.0 110.698 -175.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.629 ' NE2' ' CD2' ' A' ' 159' ' ' HIS . 43.0 t60 -123.35 122.21 37.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.493 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.629 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 7.1 m-70 59.87 -99.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -119.12 -6.69 10.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -100.3 149.61 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.726 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 21.5 tp -102.1 125.76 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.47 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -101.56 -44.73 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.648 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.31 -177.87 33.8 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.266 -0.734 . . . . 1.0 111.266 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 32.6 mt -134.79 137.42 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 1.0 110.709 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 167' ' ' VAL . 9.8 tp -103.46 150.07 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.187 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.406 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 12.3 p -160.14 138.77 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 1.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.42 ' OG ' ' CB ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -115.56 138.61 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.151 177.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 48' ' ' THR . 10.4 m-70 -104.73 121.91 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.029 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.54 115.21 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.383 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -87.11 21.08 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -150.66 113.06 3.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.532 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.71 114.27 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.835 2.357 . . . . 1.0 112.262 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -151.92 102.03 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.17 156.76 7.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.859 2.373 . . . . 1.0 112.224 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.441 ' OH ' ' O ' ' A' ' 131' ' ' LEU . 24.1 p90 -106.85 149.62 27.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.456 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -86.18 151.76 23.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -75.63 -49.07 19.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.358 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.17 -29.44 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.386 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.0 -43.0 81.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.343 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -75.39 -49.8 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.238 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 77.1 t -44.9 -49.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.047 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 185' ' ' GLN . 20.7 m -74.42 -51.32 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.168 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.517 ' N ' ' CG2' ' A' ' 184' ' ' VAL . 63.8 tt0 -48.04 -33.9 8.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 1.0 109.99 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.4 -42.83 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.966 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.68 -44.15 57.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.821 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.837 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -59.24 -36.97 76.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 109.756 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 1.4 tm0? -68.97 -30.77 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.807 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.2 t -75.82 -48.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.087 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 192' ' ' SER . 1.2 m -52.95 -31.2 39.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.952 177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -69.2 -34.85 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.125 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.87 88.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.265 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.245 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.03 -48.02 75.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.332 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.8 -47.58 85.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.194 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.63 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.307 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -55.22 -45.83 75.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.425 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.8 tp -49.03 -37.95 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 9.8 m -51.67 -59.9 3.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.553 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.585 HMD3 ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 tp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.851 0.357 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -52.01 -31.79 31.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.619 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.82 -48.59 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 34' ' ' ILE . 21.5 mm -56.7 -51.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.685 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.498 ' C ' ' HG1' ' A' ' 38' ' ' THR . 91.3 mt -56.4 -33.97 66.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -64.02 -43.27 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.788 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.64 -26.82 60.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.781 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.498 ' HG1' ' C ' ' A' ' 35' ' ' LEU . 72.0 p -68.19 -36.98 80.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.646 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.13 -24.13 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.719 -178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.714 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.71 -32.94 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.722 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 52.7 t -63.04 -57.78 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.754 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 ptm180 -47.2 -42.01 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.735 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.43 -47.61 81.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.624 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.28 -42.54 99.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.554 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mt -93.91 -14.56 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.555 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 50.95 25.7 10.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -76.25 142.59 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 1.0 110.607 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -48.58 -44.12 36.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.502 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.445 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 54.2 ttt85 -145.66 133.67 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.876 -176.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.16 132.03 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.94 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' CE ' HBB1 ' A' ' 301' ' ' CYC . 12.6 pttm -137.09 153.16 50.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 1.0 111.22 -176.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.0 t -97.34 139.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.863 176.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.506 ' O ' ' N ' ' A' ' 165' ' ' LEU . 4.9 t80 -123.14 122.0 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 1.0 111.22 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.38 133.46 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.008 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' A' ' 57' ' ' ASP . 57.9 t80 -96.77 125.81 41.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 1.0 110.871 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 2.7 m-20 -90.44 151.88 44.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.461 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.94 -19.52 62.98 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.846 2.364 . . . . 1.0 112.061 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -90.76 -2.86 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -17.29 56.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 65.6 m80 -74.99 144.35 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 1.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -130.23 151.75 19.53 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -132.24 155.6 48.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.339 . . . . 1.0 110.517 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.5 t -94.97 111.8 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.668 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.24 -1.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.414 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.69 129.65 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.586 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.561 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -161.79 141.6 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.398 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.68 144.36 47.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.66 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.496 HH21 ' CB ' ' A' ' 76' ' ' SER . 3.5 ptp85 -125.64 141.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.478 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.53 119.0 6.36 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 61.38 39.57 97.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 40.48 21.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 1.0 110.596 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.8 ttm180 -59.84 -44.7 93.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -111.2 146.61 34.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.518 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.72 165.68 31.66 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.846 2.364 . . . . 1.0 112.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.496 ' CB ' HH21 ' A' ' 69' ' ' ARG . 45.5 p -96.11 135.48 37.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.709 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 16.1 mt -106.55 8.02 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.408 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.75 129.41 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -13.58 64.59 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.9 mt -80.73 141.16 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 1.0 110.565 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -113.22 152.62 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.508 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 18.2 m-85 -113.85 143.45 29.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.463 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.439 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.5 Cg_endo -71.82 146.4 47.95 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.755 2.303 . . . . 1.0 112.052 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -73.3 -38.95 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.801 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -18.05 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 33.1 p-10 -63.22 -35.96 82.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 1.0 110.505 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.514 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 4.5 pt -157.13 139.88 10.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.552 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 90' ' ' GLU . 71.7 Cg_endo -79.05 150.59 23.28 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.905 2.404 . . . . 1.0 112.137 174.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.406 ' HA ' HH11 ' A' ' 92' ' ' ARG . 95.9 mt-10 -48.91 -16.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 88' ' ' PRO . 86.4 tt0 -47.08 -50.99 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.588 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -66.19 -28.04 68.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.795 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.406 HH11 ' HA ' ' A' ' 89' ' ' GLU . 79.8 mtt85 -72.93 -28.64 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -67.94 -49.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.573 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 mt -55.12 -38.87 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.571 -178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 6.9 m-85 -69.28 -22.82 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.71 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.486 ' C ' HE21 ' A' ' 99' ' ' GLN . 56.9 ttp180 -93.91 -22.4 18.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.83 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 18.0 mt -89.04 -46.8 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.174 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.28 -15.79 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.221 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 9.5 mp0 44.26 56.45 4.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.864 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 9.8 m -160.06 123.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.347 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -177.68 130.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.507 177.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.505 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 4.0 m -144.13 155.98 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.579 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 41.6 mt -105.86 129.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.444 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 7.9 t -85.04 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.4 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 65.8 t0 -51.02 117.03 2.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -51.03 -16.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.2 tt0 -71.87 -37.64 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.396 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.22 -13.7 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 52.93 69.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.741 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.7 m -91.09 120.54 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.269 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -109.32 138.2 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 1.0 110.952 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.652 ' HG ' ' H ' ' A' ' 136' ' ' ASP . 1.6 p -115.72 147.05 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.828 -0.623 . . . . 1.0 109.862 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.8 mt -147.25 153.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.969 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -77.09 169.23 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.432 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.29 72.97 3.0 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -47.25 108.02 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.839 2.36 . . . . 1.0 112.043 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' OE1' ' OG ' ' A' ' 118' ' ' SER . 4.3 tm-20 -171.21 -72.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.495 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.423 ' OG ' ' OE1' ' A' ' 117' ' ' GLU . 84.0 p -155.76 151.65 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.565 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.3 p90 -151.2 169.66 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.89 127.66 35.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.48 -35.46 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 1.0 110.552 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' A' ' 123' ' ' ALA . 1.6 t 170.05 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.54 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.457 ' N ' ' HG ' ' A' ' 122' ' ' SER . . . -56.87 -23.36 43.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.554 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 56.24 -153.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.573 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.83 153.09 76.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.554 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.594 ' O ' ' C ' ' A' ' 127' ' ' LEU . 30.3 Cg_endo -64.07 126.63 17.57 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.785 2.323 . . . . 1.0 112.117 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 126' ' ' PRO . 50.0 mt 23.16 -113.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.564 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.42 7.3 87.98 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -153.7 154.21 29.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 1.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.531 ' C ' ' H ' ' A' ' 132' ' ' GLN . 82.1 Cg_exo -47.05 140.41 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.92 2.413 . . . . 1.0 112.198 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.19 12.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.531 ' H ' ' C ' ' A' ' 130' ' ' PRO . 30.8 mt-30 -124.93 129.0 49.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -132.6 151.06 77.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.638 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.53 142.75 26.67 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.908 2.406 . . . . 1.0 112.329 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.9 m -116.98 130.11 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.41 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.652 ' H ' ' HG ' ' A' ' 112' ' ' SER . 11.2 t70 -41.71 138.32 1.74 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.695 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -41.54 -18.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.942 2.428 . . . . 1.0 111.769 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.875 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.6 OUTLIER -63.41 -40.15 96.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.561 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.68 -30.07 25.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.119 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.41 -60.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 145' ' ' SER . 30.5 t-80 -61.57 -43.65 98.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.358 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -45.94 -41.07 11.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.276 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 15.3 mt -74.54 -43.96 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.434 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 37.4 m -63.43 -17.47 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.547 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 24.5 mmm -95.56 -0.04 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.83 21.86 73.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.1 t -109.43 142.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 1.0 110.678 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.07 -42.33 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.207 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.2 p -137.97 122.01 17.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.096 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -130.88 141.37 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 1.0 110.973 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 7.8 mp -104.13 135.29 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.044 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.87 125.31 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 1.0 110.998 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 166' ' ' LEU . 20.2 t -130.94 114.48 16.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.977 178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.02 153.61 41.8 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.007 2.471 . . . . 1.0 112.755 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 48.3 mt -116.59 110.71 18.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.09 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.6 ptm -137.42 162.74 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 1.0 110.712 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.497 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 49.0 t-80 -145.86 122.58 11.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.466 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 59.2 t60 77.18 -115.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.516 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -117.72 -4.1 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.447 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.456 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 15.6 pt-20 -106.03 157.53 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.63 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.02 129.79 55.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.457 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.456 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 16.6 m95 -101.4 -42.25 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.734 -177.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.48 -176.66 35.66 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.4 mp -139.76 142.82 36.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 154' ' ' VAL . 4.4 tp -105.94 155.39 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.124 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.88 137.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 1.0 111.027 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 p -117.42 134.47 54.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.136 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -117.05 136.42 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.964 0.412 . . . . 1.0 111.101 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -135.1 150.26 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.363 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.41 -21.81 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.662 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -113.02 157.5 40.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 174' ' ' ARG . 10.0 Cg_endo -50.15 -71.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.89 2.393 . . . . 1.0 112.222 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 173' ' ' PRO . 44.6 ttt85 50.66 103.1 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 1.0 110.431 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.51 165.95 20.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.829 2.353 . . . . 1.0 112.189 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -107.25 140.04 40.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.461 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 21.9 t -88.59 152.98 21.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.671 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -55.19 -35.5 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.445 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 47.1 mp0 -75.35 -47.49 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.444 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.5 -56.88 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.289 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -63.89 -48.6 76.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.187 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 53.7 t -45.51 -51.27 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.126 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 68.2 t -74.77 -53.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.16 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -48.38 -36.44 14.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 41.3 tp -73.54 -43.38 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.994 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.11 -45.71 64.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.788 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.13 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.767 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.69 -35.54 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.78 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.5 -28.63 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.855 -0.612 . . . . 1.0 109.825 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.87 -49.72 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.127 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.3 p -53.69 -32.54 52.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.019 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 35.1 mt -68.05 -33.04 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.106 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.262 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.4 mt -55.65 -53.23 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.218 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.497 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -63.66 -47.44 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.292 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.84 -46.22 91.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.263 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.42 73.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.271 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -52.73 -41.94 64.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.465 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.56 -35.66 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 25.4 t -54.51 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.875 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.852 0.358 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 67.4 t0 -48.88 -32.83 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.42 -48.33 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.643 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.438 HD13 HG22 ' A' ' 34' ' ' ILE . 21.7 mm -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' ' OG1' ' A' ' 38' ' ' THR . 28.6 mt -58.66 -32.05 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.614 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -64.87 -39.83 94.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.744 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.36 -26.55 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.709 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.58 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 43.6 p -66.6 -38.08 86.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.654 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.91 -24.4 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.753 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.18 -41.51 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.46 -33.51 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.768 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 34.7 t -64.16 -59.22 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.749 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.704 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ptm180 -47.59 -41.71 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -55.42 -45.03 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.688 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.614 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.7 mt -94.03 -11.62 30.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.509 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.91 27.3 20.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.1 142.31 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 1.0 110.618 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 46.0 p-10 -61.88 -31.62 71.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 14.5 ttt180 -144.16 123.5 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.93 -176.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 t -141.67 130.09 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.914 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HZ3' ' CD1' ' A' ' 77' ' ' LEU . 43.4 mttt -134.47 151.07 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 1.0 111.211 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.1 t -98.96 137.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.882 175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.471 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 20.9 t80 -118.17 117.17 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.427 . . . . 1.0 111.204 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -97.34 137.79 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.973 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' NH2' ' A' ' 92' ' ' ARG . 0.3 OUTLIER -100.52 137.92 38.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 1.0 110.938 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.5 m-20 -101.04 151.79 37.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.494 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -41.6 -45.84 6.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.781 2.321 . . . . 1.0 112.105 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.8 -8.42 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 104.02 -9.25 50.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' ASP . 74.2 m80 -75.7 149.19 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 1.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.99 159.37 23.94 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -135.96 159.74 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 1.0 110.581 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.1 t -88.68 106.11 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -104.01 -5.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.4 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.01 124.18 6.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.545 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -156.36 139.63 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.487 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.48 142.51 45.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.656 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -125.33 142.95 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.642 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.32 140.01 14.67 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.19 36.43 1.31 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 48.6 mp0 41.34 20.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.667 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 71' ' ' GLY . 19.6 tpt180 -57.25 -43.92 83.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.581 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.58 148.13 37.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.53 160.32 50.21 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.786 2.324 . . . . 1.0 112.084 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -95.08 117.28 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.545 ' CD1' ' HZ3' ' A' ' 52' ' ' LYS . 37.8 mt -95.88 14.35 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.413 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.73 136.5 57.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.0 -7.51 80.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.8 mt -87.02 146.95 25.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 1.0 110.62 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 t -107.11 137.83 44.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.381 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -105.38 140.46 21.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -71.68 143.19 41.39 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.786 2.324 . . . . 1.0 112.137 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.45 89.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.824 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.9 -19.01 3.15 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.54 -25.89 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 39.7 mt -116.62 94.82 44.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.574 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 98.5 Cg_exo -41.41 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.836 2.357 . . . . 1.0 112.125 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -161.27 -50.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -49.57 -44.36 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.633 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.45 76.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' NH2' ' CD2' ' A' ' 56' ' ' PHE . 76.5 ttt180 -65.43 -33.18 75.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.63 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 97' ' ' LEU . 99.2 mtt180 -63.72 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.611 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -59.14 -36.39 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 68.3 m-85 -67.83 -30.64 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.718 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -93.34 -22.19 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.831 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.581 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 34.9 mt -91.46 -49.64 6.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.196 -175.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -12.98 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.209 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 6.2 mp0 44.84 56.94 4.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.831 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 9.7 m -160.31 122.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.397 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -172.6 133.36 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.522 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.2 p -144.77 155.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.6 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.431 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 53.0 mt -109.31 129.25 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.628 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.449 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 5.4 p -86.33 174.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.408 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 107' ' ' GLU . 66.1 t0 -51.57 116.32 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 37.5 t -50.71 -13.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 105' ' ' ASP . 42.3 tp10 -76.94 -35.23 57.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.446 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.29 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 53.81 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.76 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -95.44 123.39 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.257 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -112.12 141.18 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.99 0.424 . . . . 1.0 110.957 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t -134.21 110.42 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.876 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.571 ' CG2' ' H ' ' A' ' 114' ' ' SER . 67.1 mt -113.7 173.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.966 0.412 . . . . 1.0 110.989 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.571 ' H ' ' CG2' ' A' ' 113' ' ' ILE . 33.9 t -79.03 169.78 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.477 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -132.11 152.61 80.49 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.04 -36.9 27.97 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.83 2.354 . . . . 1.0 111.982 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -103.85 127.15 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.8 m -123.86 142.23 51.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.562 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -112.53 142.3 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.509 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.58 108.68 0.74 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.39 138.98 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 1.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 t 171.94 -56.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.469 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.635 ' O ' ' C ' ' A' ' 124' ' ' ARG . . . -79.52 -21.18 45.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.635 ' C ' ' O ' ' A' ' 123' ' ' ALA . 49.5 ttt85 -16.35 113.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.597 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.96 162.79 27.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.49 141.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.832 2.355 . . . . 1.0 112.068 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 6.7 mp 55.39 -96.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.558 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.69 2.74 86.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -142.33 155.87 64.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 1.0 110.562 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.616 ' C ' ' H ' ' A' ' 132' ' ' GLN . 84.6 Cg_exo -45.09 166.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.942 2.428 . . . . 1.0 112.27 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.5 mt -54.97 -2.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.456 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 130' ' ' PRO . 40.0 mm-40 -132.9 137.73 46.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.541 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -110.61 119.56 46.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.513 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 138.74 17.56 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.961 2.44 . . . . 1.0 112.256 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' ASP . 14.9 m -121.37 133.18 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.35 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.61 ' OD2' HMD3 ' A' ' 301' ' ' CYC . 0.4 OUTLIER -38.83 140.57 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.712 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.05 -33.63 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.997 2.465 . . . . 1.0 111.71 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.483 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -59.94 -32.0 70.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.546 -178.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.538 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 2.4 t60 -86.87 -32.02 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.178 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.18 -53.35 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.45 -44.23 96.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -45.5 -42.99 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.335 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.57 -42.72 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.508 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -55.53 -44.65 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.577 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.6 m -63.78 -17.29 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.2 mmm -95.21 -3.21 48.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.7 21.09 69.7 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.14 139.24 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 1.0 110.686 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.08 -53.77 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.252 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.7 p -129.59 114.56 16.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.6 p -130.84 144.34 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 1.0 110.992 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.73 133.95 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.05 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.25 128.85 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.082 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 37.0 t -133.2 123.86 18.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 1.0 109.987 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.98 150.74 18.23 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.916 2.41 . . . . 1.0 112.773 -175.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.9 mt -115.22 108.19 16.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.161 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.422 ' O ' ' OG ' ' A' ' 192' ' ' SER . 18.8 ptm -137.02 154.67 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 1.0 110.695 -174.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.58 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 67.9 t60 -135.79 123.03 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.448 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.5 t60 78.34 -116.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.59 -3.75 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.449 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -106.38 158.81 16.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.627 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 28.9 tp -106.53 128.56 54.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.475 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -99.11 -41.59 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.7 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.59 -176.8 32.06 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -137.28 134.16 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.812 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.42 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 5.3 tp -104.21 152.6 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.131 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -161.52 139.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 1.0 111.043 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.6 p -118.49 133.78 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.171 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.459 ' ND1' ' NE ' ' A' ' 50' ' ' ARG . 25.9 m80 -109.74 134.31 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 1.0 111.047 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.45 130.08 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.372 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.26 35.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.626 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -157.67 149.59 17.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.538 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 174' ' ' ARG . 37.9 Cg_endo -67.31 -4.45 11.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.794 2.329 . . . . 1.0 112.187 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 173' ' ' PRO . 50.8 ttt85 -34.82 99.66 0.17 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.367 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 173' ' ' PRO . 50.7 Cg_exo -54.79 163.17 4.22 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.801 2.334 . . . . 1.0 112.228 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.92 146.27 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.389 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.5 m -87.73 151.15 23.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.53 -25.12 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.48 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.41 -56.26 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.409 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -67.28 -26.73 66.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.351 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 56.8 tp -54.26 -51.65 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.309 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.33 -54.78 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.258 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 65.4 t -43.8 -41.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.1 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 97.4 t -75.63 -50.17 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.15 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -48.99 -36.89 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.894 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.9 -44.3 61.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.982 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 61.0 tp -50.22 -45.09 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.809 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.33 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.731 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -61.46 -37.98 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.789 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -68.07 -31.08 70.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.842 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 67.4 t -75.72 -49.16 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.04 178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 157' ' ' MET . 22.4 p -52.83 -30.58 34.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.989 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.5 mt -68.53 -35.57 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.133 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.39 87.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.298 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.6 mt -54.77 -54.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.225 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.58 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.46 -48.4 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.247 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.86 -47.54 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.254 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.02 -34.52 78.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.337 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.29 -40.04 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.22 -31.13 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.385 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 88.9 p -53.86 -59.9 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.487 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.519 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.663 ' H3C' HMD2 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -53.02 -32.12 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -77.99 -47.37 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.643 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 34' ' ' ILE . 20.9 mm -57.65 -51.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.602 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.461 ' O ' ' OG1' ' A' ' 38' ' ' THR . 85.4 mt -57.58 -37.35 73.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -63.26 -42.89 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.793 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.59 -26.45 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.735 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 79.2 p -70.44 -37.69 74.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.709 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -72.18 -24.36 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.705 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.61 -45.51 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.44 -37.38 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.2 t -57.48 -53.66 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.722 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 47' ' ' GLY . 67.1 ttp85 -51.82 -44.46 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.682 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.19 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.646 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.33 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.3 -14.22 25.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.476 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.739 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.64 25.0 4.41 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -178.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 5.4 t -75.95 145.19 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 1.0 110.606 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 92.8 m-20 -39.95 -51.34 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.599 HH21 ' CG2' ' A' ' 148' ' ' VAL . 27.6 ptt180 -152.51 147.95 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.894 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 p -145.75 135.58 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.928 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HZ2' ' NH1' ' A' ' 50' ' ' ARG . 28.6 mttp -134.9 149.56 50.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 1.0 111.19 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -99.34 138.24 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.881 176.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.8 t80 -117.18 114.49 23.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.009 0.433 . . . . 1.0 111.179 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -93.75 136.16 34.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.997 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -100.87 139.35 36.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.888 0.375 . . . . 1.0 110.885 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.4 m-20 -101.74 151.05 37.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.473 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -41.72 -45.43 6.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 1.0 112.062 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.51 -7.7 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.91 -10.04 55.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.55 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.2 m80 -74.2 147.3 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 1.0 110.606 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.68 159.91 24.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 p -137.07 161.04 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 1.0 110.566 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -90.37 107.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.654 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.06 -3.41 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.431 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.99 127.1 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -161.87 141.66 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.499 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.38 136.69 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.625 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -111.47 139.56 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.591 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.83 130.3 10.24 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.36 41.47 5.18 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 40.76 18.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 1.0 110.557 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 71' ' ' GLY . 96.5 mtt180 -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.528 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.5 mp -117.45 153.94 50.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.582 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.53 168.15 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.765 2.31 . . . . 1.0 112.087 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -98.35 146.42 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.8 15.45 17.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.85 133.67 53.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.517 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.85 71.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.8 mt -82.82 143.03 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 1.0 110.504 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.1 t -103.89 132.31 50.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.463 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.9 112.47 63.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.444 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -45.39 147.41 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.753 2.302 . . . . 1.0 112.108 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.65 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.76 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.56 -20.5 7.65 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.82 -6.18 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 110.509 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.88 131.97 20.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.614 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 73.2 Cg_endo -76.07 -113.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.896 2.397 . . . . 1.0 112.09 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 42.0 tp10 -164.85 -49.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.574 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -49.22 -45.83 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.67 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.23 75.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.454 ' NH1' ' CE2' ' A' ' 56' ' ' PHE . 31.5 ttp180 -64.32 -32.57 74.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.7 mtm180 -63.92 -39.05 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.573 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' HB3' HH11 ' A' ' 101' ' ' ARG . 13.8 mt -58.06 -36.76 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.557 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 75.1 m-85 -68.01 -29.98 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.702 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -93.32 -22.25 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.809 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.558 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 41.2 mt -90.74 -50.03 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.2 -175.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.8 -8.94 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.158 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.558 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 7.9 mp0 41.81 57.26 3.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.874 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.401 ' O ' ' CZ ' ' A' ' 101' ' ' ARG . 7.1 p -160.97 120.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -165.72 132.1 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.481 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.77 152.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.2 126.89 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.624 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.421 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 6.4 p -84.84 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.459 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 107' ' ' GLU . 40.9 m-20 -52.26 115.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.554 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -49.74 -14.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 105' ' ' ASP . 84.3 tt0 -73.44 -36.41 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.411 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.17 -15.09 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.517 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 53.61 67.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.713 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.0 p -97.27 124.69 41.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.211 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -113.66 143.0 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 111.046 -176.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -121.7 156.16 33.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.864 177.51 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.496 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 40.7 mt -154.33 161.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.992 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 113' ' ' ILE . 66.9 m -76.33 172.03 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.422 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 113' ' ' ILE . 22.0 mp0 -143.92 151.8 53.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.591 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -40.05 -34.68 1.0 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.835 2.357 . . . . 1.0 112.05 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -136.76 160.69 38.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.49 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.6 p -119.55 149.08 42.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -152.07 -170.92 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.07 64.53 0.68 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.487 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 8.8 mp -60.71 -34.47 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.359 . . . . 1.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 124' ' ' ARG . 4.3 p 72.25 -56.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.496 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' N ' ' OG ' ' A' ' 122' ' ' SER . . . -56.24 -6.72 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.547 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.484 ' H ' ' C ' ' A' ' 122' ' ' SER . 52.3 ttm-85 -132.73 -45.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.2 t -117.39 95.98 48.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.595 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.63 171.97 1.72 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.78 2.32 . . . . 1.0 112.12 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.452 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 61.3 mt 49.06 -108.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.531 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.75 -9.69 70.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -144.86 161.42 43.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 110.594 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.67 ' C ' ' H ' ' A' ' 132' ' ' GLN . 10.0 Cg_endo -50.53 168.75 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.948 2.432 . . . . 1.0 112.248 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.44 12.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.492 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.67 ' H ' ' C ' ' A' ' 130' ' ' PRO . 53.9 mm-40 -140.36 159.61 41.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.538 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -128.7 86.09 58.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.624 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.459 ' O ' ' OG ' ' A' ' 112' ' ' SER . 50.8 Cg_exo -51.14 139.96 41.96 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.934 2.422 . . . . 1.0 112.272 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.474 ' CA ' ' OG ' ' A' ' 112' ' ' SER . 11.4 m -113.84 127.32 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -37.99 151.31 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.751 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.12 -27.62 75.12 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.964 2.443 . . . . 1.0 111.764 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.6 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.493 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 13.4 t60 -86.84 -26.53 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.138 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 56.5 t -57.57 -54.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.31 -44.79 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -47.47 -45.78 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.3 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.98 -46.65 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.436 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.13 -44.7 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.538 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -63.29 -17.14 62.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.1 mmm -96.4 -2.25 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.472 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.5 67.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.599 ' CG2' HH21 ' A' ' 50' ' ' ARG . 69.0 t -104.69 137.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 1.0 110.66 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.34 -56.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.181 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.9 t -130.97 114.13 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.093 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.422 ' OG ' ' CG1' ' A' ' 148' ' ' VAL . 45.8 m -130.46 144.67 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.386 . . . . 1.0 110.986 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.34 132.18 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.086 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.63 128.22 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 1.0 111.004 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 166' ' ' LEU . 18.7 t -131.85 117.66 16.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.99 156.07 34.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.954 2.436 . . . . 1.0 112.815 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 25.3 mt -120.04 111.69 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.202 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.1 ptm -133.6 152.97 52.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 1.0 110.69 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.56 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 56.6 t-80 -132.37 122.18 24.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.513 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.526 ' ND1' ' N ' ' A' ' 160' ' ' GLN . 41.3 t-80 74.41 -113.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.515 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.526 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 14.3 pt20 -117.02 -5.81 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.465 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 163' ' ' TRP . 10.2 pt-20 -106.14 161.71 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.633 -176.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.7 tp -108.97 130.07 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.417 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 161' ' ' GLU . 74.1 m95 -101.01 -41.68 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.685 -178.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.84 -175.65 34.09 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.171 -0.772 . . . . 1.0 111.171 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 mp -139.42 144.16 37.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 1.0 110.672 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 154' ' ' VAL . 4.9 tp -109.34 154.76 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.178 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.77 140.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 111.054 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.6 m -119.1 131.41 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.134 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.503 ' O ' ' OG1' ' A' ' 48' ' ' THR . 23.5 m80 -106.66 133.78 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.029 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -125.94 126.83 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.394 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.429 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -86.48 22.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.602 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 66.5 mm-40 -152.48 151.1 26.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.582 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.28 132.95 27.06 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.839 2.359 . . . . 1.0 112.232 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -172.61 96.66 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.388 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.6 163.72 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.882 2.388 . . . . 1.0 112.177 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.71 148.58 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 181' ' ' LEU . 49.5 m -103.88 151.18 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.605 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.93 -40.71 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.438 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 179' ' ' GLU . 47.9 mp0 -64.41 -55.82 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.442 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.44 -36.54 81.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.38 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 177' ' ' SER . 47.5 tp -62.11 -37.88 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.308 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -69.97 -52.52 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.234 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 71.4 t -44.44 -44.61 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.085 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.63 -50.39 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.164 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -47.89 -34.55 9.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.926 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.82 -43.74 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.949 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.3 tp -51.29 -45.24 62.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.846 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.58 98.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.789 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -60.76 -36.64 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.708 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.865 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.53 -48.4 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.069 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.3 m -50.95 -28.37 9.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.958 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.58 -33.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.124 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.95 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 196' ' ' ALA . 14.5 pt -67.61 -26.93 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.185 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.56 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.53 -54.58 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.19 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -36.57 82.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.276 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.21 76.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.308 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -53.04 -42.34 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.473 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.43 -35.82 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.401 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -49.88 -59.51 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.467 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.522 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.724 ' H3C' HMD2 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.7 -30.9 34.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -77.19 -48.89 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mm -57.42 -51.19 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.536 ' O ' ' OG1' ' A' ' 38' ' ' THR . 78.1 mt -57.33 -32.12 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.595 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' O ' HG13 ' A' ' 39' ' ' VAL . 38.9 ttp180 -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.746 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.91 59.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.717 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 61.4 p -66.79 -36.87 83.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.669 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 36' ' ' ARG . 1.7 p -71.12 -25.14 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.715 -179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.98 -37.57 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.725 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -78.99 -40.73 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -53.8 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.768 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 18.6 ptt180 -49.82 -43.4 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.742 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.51 -48.78 78.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.655 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.93 -42.83 99.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -93.89 -12.25 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.493 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.21 26.3 12.89 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 33.0 m -75.43 140.0 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 1.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -53.58 -41.18 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.485 -177.189 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.672 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 16.0 ttt-85 -144.12 130.53 19.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.92 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.85 134.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.94 176.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -138.52 157.29 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.058 0.456 . . . . 1.0 111.188 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.7 t -99.25 139.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.916 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.483 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 14.7 t80 -121.15 121.11 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 1.0 111.194 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -98.64 139.04 34.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.024 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 135.29 42.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 1.0 110.945 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' HIS . 3.9 m-20 -98.43 151.99 37.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.5 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.73 -45.01 6.66 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.884 2.389 . . . . 1.0 112.02 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.2 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 105.64 -8.08 43.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.574 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.5 m80 -77.2 149.5 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 1.0 110.61 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.431 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.41 162.06 25.37 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -136.42 159.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.444 HG13 ' H ' ' A' ' 79' ' ' GLY . 9.8 p -94.29 110.47 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.604 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -110.1 -0.74 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.14 129.34 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.549 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE2' ' N ' ' A' ' 78' ' ' LEU . 9.5 pt-20 -164.94 143.52 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.441 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.402 ' HB2' HH11 ' A' ' 43' ' ' ARG . . . -134.53 144.83 48.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.677 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -111.52 135.12 52.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.56 117.8 4.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.77 40.84 34.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 41.99 41.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 1.0 110.679 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -81.16 -47.18 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.489 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 135.05 19.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.8 162.04 1.17 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.821 2.347 . . . . 1.0 112.057 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.416 ' HA ' HH21 ' A' ' 50' ' ' ARG . 22.4 p -90.27 127.1 36.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.624 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.672 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 33.0 mt -106.02 10.48 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.446 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.539 ' N ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 tp -59.25 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.474 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 89.23 -7.1 82.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.6 mt -85.76 140.17 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 1.0 110.52 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -104.99 139.82 39.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.482 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -109.41 139.43 21.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.459 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.518 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 38.2 Cg_endo -73.15 148.04 43.68 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.761 2.308 . . . . 1.0 112.184 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' O ' ' OD1' ' A' ' 86' ' ' ASP . . . -72.38 -33.11 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.46 -16.27 0.32 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.518 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 21.1 p-10 -63.01 -11.97 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 1.0 110.494 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.496 HG22 HBA2 ' A' ' 301' ' ' CYC . 3.4 pt -149.08 106.12 3.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.517 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.58 -86.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.875 2.384 . . . . 1.0 112.163 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -173.54 -23.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.525 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.76 -46.45 65.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.55 77.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.764 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -62.86 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.705 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -63.33 -37.7 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.38 -37.05 76.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.589 -178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.469 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 84.4 m-85 -66.77 -30.19 70.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.681 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.446 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 61.0 mtp180 -89.56 -23.9 21.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' C ' HE22 ' A' ' 99' ' ' GLN . 19.6 mt -97.14 -50.84 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.219 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.483 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -105.67 -13.89 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.226 -174.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.753 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 42.67 55.71 4.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.788 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.6 p -160.72 123.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.391 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -170.43 128.89 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.485 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.0 153.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.62 129.12 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.626 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 8.2 t -85.68 172.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.474 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' A' ' 107' ' ' GLU . 65.5 t0 -52.29 117.52 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.542 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.9 -15.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 105' ' ' ASP . 83.8 tt0 -74.53 -37.7 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.441 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.49 56.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.49 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 54.28 66.7 1.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.711 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.5 m -90.93 124.28 35.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.261 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -109.87 136.35 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.407 . . . . 1.0 111.023 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.84 152.26 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.937 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 114' ' ' SER . 51.1 mt -152.78 160.04 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 1.0 110.989 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.409 ' N ' ' CG2' ' A' ' 113' ' ' ILE . 36.5 t -73.95 173.84 9.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.368 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -171.61 73.6 0.5 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.633 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.5 -1.35 11.21 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.829 2.352 . . . . 1.0 112.067 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.75 -31.56 71.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.486 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.9 t -107.87 145.88 33.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.51 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -70.22 141.39 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.52 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.44 34.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 8.6 mp -82.76 1.2 40.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 1.0 110.508 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.473 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 34.5 t -126.32 -99.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.4 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.583 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 58.78 179.64 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.543 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.24 130.19 42.89 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.612 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -74.34 134.38 18.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.791 2.327 . . . . 1.0 112.084 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.433 ' CG ' ' H ' ' A' ' 128' ' ' GLY . 5.7 tp 42.1 -126.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.534 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.433 ' H ' ' CG ' ' A' ' 127' ' ' LEU . . . 60.33 35.94 89.66 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -145.69 151.49 46.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 1.0 110.616 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.644 ' C ' ' H ' ' A' ' 132' ' ' GLN . 38.8 Cg_endo -67.42 169.04 16.41 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.978 2.452 . . . . 1.0 112.194 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.03 6.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.497 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.644 ' H ' ' C ' ' A' ' 130' ' ' PRO . 33.3 mt-30 -139.27 141.33 37.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.531 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -116.18 126.27 27.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.6 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.94 140.9 18.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.901 2.401 . . . . 1.0 112.34 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 136' ' ' ASP . 3.7 m -116.99 129.25 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.381 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER -38.95 140.69 0.66 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.75 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.15 -41.73 16.48 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.96 2.44 . . . . 1.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.455 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -53.56 -32.05 49.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.595 -178.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.599 ' CD2' ' ND ' ' A' ' 301' ' ' CYC . 16.9 t-80 -86.97 -29.6 21.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.143 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 93.3 t -59.53 -48.82 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.233 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -64.81 -45.07 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -44.52 -40.57 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.303 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.79 -40.6 47.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.447 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -58.94 -44.6 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.509 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.6 t -61.99 -15.51 44.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.639 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.28 4.2 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.02 22.54 73.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.9 t -108.93 143.21 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 1.0 110.635 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.28 -33.19 5.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.19 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 p -148.09 120.22 8.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.089 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 p -130.47 142.95 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.976 0.417 . . . . 1.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.8 tt -108.08 134.27 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.067 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.0 t -110.65 129.18 66.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 1.0 110.99 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.13 115.33 17.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.005 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 153.2 41.45 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.974 2.449 . . . . 1.0 112.768 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.2 mt -119.07 110.6 17.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.112 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.479 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 17.9 ptm -137.0 159.63 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 1.0 110.72 -176.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.577 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 54.8 t60 -141.14 123.32 15.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.487 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.4 t60 76.43 -114.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.448 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -117.36 -5.76 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.465 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -105.48 158.41 16.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.566 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -106.1 128.97 54.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.425 177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -100.26 -45.53 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.631 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.93 -177.84 33.38 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 54' ' ' TYR . 30.6 mt -135.33 152.43 51.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 1.0 110.681 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.04 151.38 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.228 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.2 p -160.44 138.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 1.0 111.075 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.94 141.11 48.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.168 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.482 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.1 m80 -112.23 129.09 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 1.0 111.043 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -124.47 121.99 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.39 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.66 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.601 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -133.85 150.47 74.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -41.27 137.12 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.857 2.371 . . . . 1.0 112.142 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -153.78 75.91 6.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -55.63 152.35 34.58 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.844 2.362 . . . . 1.0 112.15 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -109.62 143.88 38.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.397 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.5 t -83.08 152.34 25.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -56.11 -34.98 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -78.13 -54.64 6.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.05 -35.24 78.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.384 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.3 tp -51.62 -50.94 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.297 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -66.52 -47.82 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.209 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 66.6 t -43.36 -45.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.048 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.15 -50.68 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.171 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -48.7 -35.69 14.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.903 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.7 -45.06 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.9 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 58.6 tp -50.7 -45.11 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.742 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.801 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -59.5 -38.71 81.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.741 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -68.37 -30.55 69.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.828 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.6 -49.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.028 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 157' ' ' MET . 20.4 p -53.89 -32.2 52.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.977 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.91 -35.22 71.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.176 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.15 85.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.229 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.7 -52.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.185 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.577 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.15 -47.52 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.183 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.63 -47.16 87.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.335 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -52.27 -41.86 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.433 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.4 mt -48.5 -37.24 17.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 32.8 t -51.79 -60.69 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.405 ' C ' ' CD2' ' A' ' 202' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.999 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.76 ' H3C' HMD2 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 1.0 110.582 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.06 -32.29 33.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.564 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -73.4 -48.87 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.654 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mm -56.22 -45.98 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.604 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.524 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.2 mt -56.34 -32.79 65.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.565 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.1 ttm180 -61.12 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.79 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.06 59.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.793 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.524 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 77.6 p -69.17 -36.21 77.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.682 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.4 p -68.32 -26.75 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.714 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.3 -36.53 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.744 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 45' ' ' PHE . 9.3 tm-20 -75.54 -54.02 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.683 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' A' ' 43' ' ' ARG . 28.4 m -53.49 -49.5 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.733 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.64 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.2 ttt-85 -49.75 -44.81 48.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.63 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.09 -40.3 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.613 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.525 ' CE1' ' OE2' ' A' ' 41' ' ' GLU . 10.1 m-85 -67.3 -36.7 82.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.549 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.23 -11.87 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.499 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.16 28.67 3.17 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 1.2 p -77.74 144.72 36.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 1.0 110.622 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -51.35 -42.25 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.642 ' NH1' ' NZ ' ' A' ' 52' ' ' LYS . 63.2 ttt-85 -143.54 131.67 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.84 -175.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 11.4 t -140.84 131.51 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.944 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.642 ' NZ ' ' NH1' ' A' ' 50' ' ' ARG . 14.8 pttm -136.53 150.84 48.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 1.0 111.233 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.88 138.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 1.0 109.89 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 165' ' ' LEU . 12.2 t80 -122.54 123.8 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.251 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -103.01 141.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 1.0 109.989 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -103.24 137.96 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.901 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.508 ' N ' ' O ' ' A' ' 61' ' ' HIS . 42.1 m-20 -95.87 151.74 38.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.516 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.13 -20.34 18.71 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.836 2.357 . . . . 1.0 112.079 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -92.6 -1.95 56.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.575 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -14.99 58.86 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.508 ' O ' ' N ' ' A' ' 57' ' ' ASP . 50.3 m80 -75.05 145.14 42.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 1.0 110.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.78 155.72 21.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.4 p -134.4 157.79 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 1.0 110.55 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.62 110.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.647 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.11 -2.43 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.406 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.79 127.15 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.531 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' HG3' HH21 ' A' ' 50' ' ' ARG . 14.0 tm-20 -158.51 139.11 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.44 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.88 45.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.623 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -120.54 141.14 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.4 134.02 11.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.77 39.36 4.77 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 40.07 22.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 1.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' GLY . 75.9 ttt-85 -61.69 -46.3 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.98 148.26 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.25 157.49 59.25 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.755 2.303 . . . . 1.0 112.062 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -91.19 115.42 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -96.32 9.92 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.425 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.79 136.1 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.51 -8.94 75.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 mt -85.8 145.24 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 1.0 110.492 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.2 p -110.55 146.31 36.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.415 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.32 142.66 29.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.471 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.06 140.29 37.5 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.725 2.284 . . . . 1.0 112.163 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.78 80.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.742 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -49.16 -17.65 1.06 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -57.21 -7.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 1.0 110.486 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.464 ' H ' ' C ' ' A' ' 85' ' ' GLY . 16.0 pt -152.28 149.04 22.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.531 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.04 -94.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.874 2.383 . . . . 1.0 112.108 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -170.1 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.629 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -55.39 -43.12 74.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -42.57 65.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.812 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.98 -33.51 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.675 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -63.16 -34.52 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.74 -33.56 73.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.513 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.743 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 26.0 m-85 -70.6 -34.41 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.731 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.65 HH12 ' H ' ' A' ' 162' ' ' LEU . 21.6 mtp85 -86.68 -20.26 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.682 ' N ' HE22 ' A' ' 99' ' ' GLN . 96.2 mt -101.77 -49.83 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.175 -176.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.08 -16.55 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.231 -173.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.795 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 43.39 54.8 5.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.864 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.5 t -153.08 123.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.419 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 10.1 tpp180 -157.35 124.6 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 133' ' ' ARG . 47.1 t -147.09 146.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.61 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.4 126.78 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.614 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 1.9 t -84.66 172.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.466 -177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 107' ' ' GLU . 65.6 t0 -52.77 117.12 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.541 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.0 t -49.67 -17.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.535 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.8 tp10 -73.23 -38.77 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.491 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.87 58.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.496 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.92 65.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.728 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 p -91.04 124.48 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.197 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -110.34 136.51 49.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 1.0 110.995 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.453 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -115.44 147.92 40.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.889 177.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 114' ' ' SER . 10.1 mt -148.67 156.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.918 0.389 . . . . 1.0 111.027 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.4 ' N ' HG23 ' A' ' 113' ' ' ILE . 59.9 p -75.11 173.36 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.455 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -175.37 151.62 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.622 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.28 74.43 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.79 2.327 . . . . 1.0 112.062 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.57 138.29 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.0 t -95.94 -31.81 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.553 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -145.93 -165.13 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.11 4.64 44.46 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.448 ' O ' ' OG ' ' A' ' 122' ' ' SER . 3.3 tt -95.1 112.59 24.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 1.0 110.543 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 121' ' ' LEU . 5.4 m -177.84 92.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.526 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.56 -46.03 77.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.588 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -40.81 -47.22 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.507 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.1 t -137.09 93.08 13.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.594 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -93.25 146.6 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.767 2.312 . . . . 1.0 112.117 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.435 ' HG ' ' H ' ' A' ' 128' ' ' GLY . 3.5 tp -173.15 159.31 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.599 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.435 ' H ' ' HG ' ' A' ' 127' ' ' LEU . . . 93.93 37.23 5.52 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.44 101.29 50.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 1.0 110.61 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.87 152.09 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.88 2.387 . . . . 1.0 112.289 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 68.6 mt -56.29 -25.76 49.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.486 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 131.2 45.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.506 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' VAL . 19.7 mmm180 -115.44 135.96 22.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.77 141.43 17.14 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.918 2.412 . . . . 1.0 112.311 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.45 129.9 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.454 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.7 OUTLIER -41.76 151.11 0.33 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.762 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -46.32 -19.16 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.922 2.415 . . . . 1.0 111.764 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.405 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -58.24 -40.89 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.591 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.09 -23.33 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.175 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 72.9 t -60.52 -57.99 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.172 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -66.26 -48.08 71.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.23 -42.75 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.307 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.99 -44.89 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.445 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -58.08 -45.84 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.569 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.0 m -63.43 -17.03 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.584 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 22.6 mmm -97.26 0.29 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.95 21.6 73.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 24.3 t -110.34 143.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 1.0 110.646 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -113.01 -43.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.232 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 p -136.65 120.95 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.4 p -128.97 140.31 51.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.992 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.0 tt -102.24 132.86 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.133 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 66.5 t -112.77 129.49 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 1.0 111.012 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.4 121.29 18.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.009 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.2 145.53 24.41 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.943 2.429 . . . . 1.0 112.723 -175.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.96 107.99 17.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.183 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 13.3 ptm -136.99 161.46 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 1.0 110.719 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.464 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 21.2 t-80 -134.17 123.34 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.587 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 75.4 t60 64.25 -105.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.46 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -117.49 -5.34 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.405 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -102.81 151.33 22.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.613 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.65 ' H ' HH12 ' A' ' 96' ' ' ARG . 23.1 tp -104.72 126.96 52.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.505 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -99.95 -43.54 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.671 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.43 -177.21 31.31 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.193 -0.763 . . . . 1.0 111.193 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.31 133.89 33.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.688 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.3 tp -100.76 151.97 21.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.167 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 12.6 p -158.33 134.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 1.0 111.05 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -117.52 134.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.156 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.518 ' HE2' ' HZ2' ' A' ' 52' ' ' LYS . 47.0 m-70 -109.73 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.004 -177.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.439 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.8 t-80 -128.98 133.89 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.304 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -70.22 -23.54 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.58 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.92 151.91 55.56 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.585 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.92 -66.82 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.811 2.34 . . . . 1.0 112.217 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.34 74.42 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.78 162.16 7.14 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.816 2.344 . . . . 1.0 112.219 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -112.12 141.87 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.397 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.611 ' HG ' ' H ' ' A' ' 180' ' ' GLU . 56.4 p -84.99 152.9 23.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.654 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -55.08 -35.83 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.403 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -74.87 -48.85 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.403 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.611 ' H ' ' HG ' ' A' ' 177' ' ' SER . 46.0 tp10 -62.43 -36.33 82.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.379 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.37 -57.67 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.271 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.85 -47.82 84.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.241 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.25 -49.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.068 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.18 -52.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.153 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.69 -37.23 18.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.917 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.2 -43.58 61.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 59.9 tp -51.52 -45.31 62.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.83 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.94 97.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.762 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -59.67 -36.54 76.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.74 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.766 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.99 -49.39 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.117 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -33.3 54.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.991 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.4 mt -67.56 -32.92 59.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.136 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.36 84.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.221 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 6.9 mt -61.82 -34.17 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.227 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.464 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -74.29 -54.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.327 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.475 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.6 pt20 -62.91 -39.47 94.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.252 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.479 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -67.48 -33.79 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.312 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -53.0 -43.49 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.442 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.12 -27.85 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.415 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 94.9 p -54.62 -59.15 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.547 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.603 179.48 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.743 HBA2 ' CZ ' ' A' ' 95' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.512 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.38 -31.22 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -76.74 -46.59 24.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 34' ' ' ILE . 26.0 mm -56.39 -50.13 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.579 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.523 ' O ' ' OG1' ' A' ' 38' ' ' THR . 89.3 mt -56.19 -35.95 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.602 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 39' ' ' VAL . 55.6 ttp180 -61.62 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.816 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -27.21 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.763 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.523 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 75.5 p -68.02 -37.52 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.642 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 2.3 p -71.44 -24.82 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.72 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' OE1' ' NH2' ' A' ' 43' ' ' ARG . 72.6 mm-40 -75.14 -45.91 37.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -71.03 -39.65 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.39 -54.62 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.747 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -48.6 -43.52 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.687 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.9 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.654 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.95 -43.15 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.542 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -94.1 -11.61 30.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.515 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.12 25.83 4.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 62.0 m -75.0 141.72 43.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 1.0 110.595 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.95 -42.11 59.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.533 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.548 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 42.1 ttt85 -144.87 131.44 19.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.872 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.3 p -144.2 131.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.968 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.581 ' CE ' HBB1 ' A' ' 301' ' ' CYC . 13.3 pttm -137.17 153.05 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 1.0 111.228 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.0 t -100.66 139.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.926 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.7 t80 -126.75 127.83 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 1.0 111.25 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 41.0 ptt180 -106.95 147.67 29.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.981 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.19 142.11 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.016 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.3 m-20 -101.1 152.52 37.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.437 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -41.08 -45.85 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.806 2.337 . . . . 1.0 112.082 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.71 -12.69 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 107.59 -7.14 36.3 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.0 m80 -74.75 145.72 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 1.0 110.512 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -131.22 155.27 21.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 10.6 p -134.46 157.13 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -92.44 110.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.606 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.0 t -106.84 -2.01 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.434 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.72 123.5 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.525 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -155.49 139.68 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.434 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.28 143.18 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.653 178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -130.56 144.78 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.638 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.67 141.13 15.34 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 44.13 36.15 3.88 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 40.98 21.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.0 110.601 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.2 tpm_? -59.9 -41.99 92.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.578 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.34 120.42 41.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.541 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.1 Cg_exo -49.68 161.69 0.79 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.763 2.309 . . . . 1.0 111.978 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.413 ' HA ' HH22 ' A' ' 50' ' ' ARG . 29.5 t -88.36 119.63 28.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.709 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 23.6 mt -98.08 4.39 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.493 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.07 135.73 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 -8.89 78.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.6 mt -85.41 144.6 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 1.0 110.52 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.9 t -112.54 148.95 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.5 m-85 -117.26 149.37 44.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.428 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -78.24 147.54 23.34 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.718 2.278 . . . . 1.0 112.062 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.75 72.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.02 -19.38 1.46 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -66.84 -27.97 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 1.0 110.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 mt -131.67 91.41 33.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -34.63 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.914 2.409 . . . . 1.0 112.065 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.8 tt0 -172.17 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.535 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -52.78 -44.89 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.684 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.5 -37.54 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.842 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -63.41 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.69 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.457 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 91.3 mtt-85 -65.18 -38.08 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.568 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -36.63 71.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.588 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 80.8 m-85 -69.98 -33.42 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.751 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.482 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 58.4 ttp180 -88.68 -24.48 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.868 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.499 ' C ' HE22 ' A' ' 99' ' ' GLN . 90.1 mt -97.07 -49.43 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 -176.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.444 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.16 -173.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.73 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 41.72 55.41 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.789 -179.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.7 p -162.25 124.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.437 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.552 ' CG ' HH11 ' A' ' 101' ' ' ARG . 0.0 OUTLIER -170.36 131.23 0.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.495 178.506 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.4 t -144.51 153.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 70.7 mt -110.6 128.97 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.618 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.472 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 17.3 t -85.71 173.05 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.427 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 107' ' ' GLU . 35.5 m-20 -50.22 117.63 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.58 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 106' ' ' VAL . 26.7 t -50.58 -11.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.586 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.493 ' C ' ' H ' ' A' ' 109' ' ' GLN . 48.5 tp10 -70.65 -38.57 73.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.41 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.37 0.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.497 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 107' ' ' GLU . 13.6 pt20 37.44 71.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.762 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.6 p -92.59 123.63 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.235 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -112.52 139.84 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.977 0.417 . . . . 1.0 111.001 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.572 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.9 p -118.34 156.32 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.87 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.9 pt -154.79 160.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.008 0.432 . . . . 1.0 110.989 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.6 m -76.27 171.95 13.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.41 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.82 74.87 37.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -49.22 -23.83 7.32 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.843 2.362 . . . . 1.0 111.988 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 117' ' ' GLU . 3.2 tm-20 -99.95 74.44 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.5 p -153.95 161.53 41.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' GLY . 75.9 t-105 -136.62 122.69 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 119' ' ' TRP . . . 41.38 94.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 122' ' ' SER . 50.6 mt -58.76 -36.32 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 1.0 110.52 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 121' ' ' LEU . 10.8 p 43.6 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 125' ' ' VAL . . . -77.82 1.49 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -48.22 -19.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.408 ' N ' ' C ' ' A' ' 123' ' ' ALA . 7.2 p -87.63 130.21 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.611 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 128' ' ' GLY . 71.8 Cg_endo -75.41 139.58 23.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.773 2.315 . . . . 1.0 112.092 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' A' ' 129' ' ' GLU . 38.5 mt 57.65 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 60.08 -0.53 0.82 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 133' ' ' ARG . 58.5 mm-40 -145.02 159.31 50.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 1.0 110.572 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.635 ' C ' ' H ' ' A' ' 132' ' ' GLN . 7.4 Cg_endo -47.04 168.98 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.939 2.426 . . . . 1.0 112.224 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.55 14.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 130' ' ' PRO . 44.5 mm-40 -140.32 158.92 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -134.04 117.69 13.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.604 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.79 139.91 16.0 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.965 2.443 . . . . 1.0 112.257 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.38 132.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.409 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.572 ' N ' ' OG ' ' A' ' 112' ' ' SER . 5.7 t0 -41.87 144.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.441 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 8.4 Cg_endo -49.97 -11.88 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.943 2.429 . . . . 1.0 111.817 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.898 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.8 OUTLIER -70.45 -40.26 73.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -84.1 -30.92 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.195 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.47 -63.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.198 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -58.22 -41.34 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.385 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -48.63 -44.11 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.249 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.33 -47.08 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.539 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -55.98 -44.12 78.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.8 p -64.78 -17.68 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmm -95.77 -1.87 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.489 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.62 23.37 64.9 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.4 t -112.93 143.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 1.0 110.703 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.71 -45.49 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.194 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.2 p -131.67 118.25 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.054 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 168' ' ' SER . 31.5 t -129.47 141.13 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.9 0.381 . . . . 1.0 111.011 -179.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -99.51 134.35 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.086 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.2 126.36 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 1.0 111.017 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 166' ' ' LEU . 60.7 t -131.82 118.25 16.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.012 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.74 155.9 31.21 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.994 2.462 . . . . 1.0 112.767 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.9 mt -120.29 111.81 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.103 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.533 ' N ' ' OG ' ' A' ' 192' ' ' SER . 15.4 ptm -133.46 157.58 45.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 1.0 110.648 -175.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.62 ' NE2' ' CE1' ' A' ' 159' ' ' HIS . 57.8 t60 -135.43 123.82 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.558 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.62 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 27.7 m-70 70.67 -110.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.505 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -118.15 -4.76 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.458 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.427 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 12.6 pt-20 -106.61 161.7 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.662 -176.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.42 129.14 55.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.464 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.427 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 46.3 m95 -102.09 -44.09 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.659 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -157.72 -176.94 30.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.22 -0.752 . . . . 1.0 111.22 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 tt -142.05 140.25 32.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 1.0 110.678 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 154' ' ' VAL . 5.0 tp -104.81 153.49 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.152 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.4 p -158.45 135.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 1.0 111.015 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 151' ' ' SER . 0.3 OUTLIER -117.33 133.63 55.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.127 178.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.518 ' O ' ' CG2' ' A' ' 48' ' ' THR . 32.0 m-70 -108.56 129.08 55.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 1.0 111.077 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -124.45 126.78 46.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.374 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -84.26 32.7 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.613 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 25.1 mt-10 -160.7 142.93 9.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.53 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 174' ' ' ARG . 88.3 Cg_exo -41.57 -78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.778 2.319 . . . . 1.0 112.215 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 173' ' ' PRO . 0.0 OUTLIER 35.34 89.01 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.324 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.41 172.72 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 1.0 112.264 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -109.77 142.62 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.395 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 62.9 m -87.99 151.52 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.9 -25.91 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.444 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -82.0 -52.83 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.421 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.404 ' O ' ' CG2' ' A' ' 184' ' ' VAL . 95.8 mt-10 -65.89 -19.01 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.421 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 51.0 tp -74.78 -45.79 41.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.345 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.16 -56.48 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.173 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.5 p -46.66 -39.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.1 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.474 ' N ' ' CG1' ' A' ' 183' ' ' VAL . 73.7 t -73.18 -52.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.11 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -46.17 -31.2 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.958 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.2 tp -72.68 -43.76 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.94 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 61.6 tp -51.3 -45.66 62.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.866 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.77 92.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.818 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -58.06 -37.17 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.777 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 -30.27 67.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.856 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.5 t -75.57 -50.03 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.2 t -50.85 -27.21 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.952 178.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 193' ' ' ILE . 46.6 mt -76.41 -32.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.115 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.08 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.233 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.494 HG13 ' N ' ' A' ' 196' ' ' ALA . 12.8 pt -63.8 -30.5 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.259 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.494 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -73.41 -49.62 26.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.289 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.11 -41.64 97.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.18 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.45 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.04 -33.03 74.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.327 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.32 -43.23 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.466 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 50.0 mt -48.31 -29.7 4.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.693 ' HG ' ' H ' ' A' ' 202' ' ' LEU . 92.3 p -52.5 -59.07 4.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.693 ' H ' ' HG ' ' A' ' 201' ' ' SER . 16.4 tp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.61 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.898 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.885 0.374 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -54.57 -31.84 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.571 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -76.89 -49.47 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.684 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.5 mt -57.73 -52.02 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.577 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.56 ' O ' ' OG1' ' A' ' 38' ' ' THR . 64.6 mt -56.54 -31.88 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.587 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -64.03 -40.46 96.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.794 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.79 -27.18 57.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 57.2 p -65.66 -38.62 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.755 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.3 p -70.91 -25.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.74 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.09 -36.87 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.08 -40.4 31.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.683 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -55.38 -56.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.717 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -52.09 -44.03 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.45 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -57.9 -49.03 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -63.09 -42.85 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.525 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.02 -13.18 27.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.521 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.67 25.77 15.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.551 ' OG1' ' NE2' ' A' ' 170' ' ' HIS . 37.5 m -74.67 139.74 43.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 1.0 110.611 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.496 ' CG ' HH21 ' A' ' 73' ' ' ARG . 88.8 m-20 -51.41 -43.83 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.431 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.641 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 32.2 ttt180 -143.75 131.47 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.938 -176.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -149.78 134.33 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.965 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -138.77 156.81 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 1.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.02 139.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.814 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.1 t80 -119.62 120.5 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 1.0 111.169 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -100.82 141.58 33.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.986 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.41 128.9 46.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.99 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.3 m-20 -94.59 155.79 39.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -38.24 -53.2 1.73 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 1.0 112.139 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 56.9 tt0 -69.99 -12.7 61.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.593 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.21 -4.72 52.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 56.0 p-80 -81.96 101.53 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.527 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -88.05 168.0 36.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 p -139.58 161.95 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 1.0 110.601 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -90.1 108.28 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.27 -3.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.429 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.68 126.11 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.489 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' CD ' HH21 ' A' ' 50' ' ' ARG . 37.2 tt0 -157.88 140.28 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.1 137.82 44.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.693 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -124.1 143.34 50.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.64 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.88 141.86 15.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.12 34.92 0.64 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 41.96 19.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.609 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 25.1 ttp180 -55.94 -43.5 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.539 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 mt -108.45 126.79 28.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.62 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 78.3 Cg_exo -49.83 160.27 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 1.0 112.027 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -92.18 117.03 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.641 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 20.8 mt -99.68 9.96 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.471 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.86 141.1 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.499 -177.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.07 -6.14 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.46 147.52 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 1.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 p -104.59 133.12 49.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.34 109.0 61.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.08 146.28 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.72 2.28 . . . . 1.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.15 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -19.17 1.85 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.36 -24.42 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 1.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 40.3 mt -119.88 94.99 49.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.521 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.7 Cg_exo -39.71 -111.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.937 2.425 . . . . 1.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 81.7 tt0 -158.89 -53.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.572 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -47.86 -44.71 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.624 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -30.52 68.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.782 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.77 -32.75 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.6 mtp180 -63.38 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.8 -34.75 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.434 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 7.6 m-85 -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.706 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -95.08 -21.05 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.584 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 58.2 mt -92.34 -49.58 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.226 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.84 -13.79 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.177 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 5.5 mp0 44.71 58.05 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.813 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 m -155.52 120.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.347 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -163.41 129.29 3.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.479 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -148.49 151.07 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.701 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.71 127.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 5.9 t -84.91 172.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.444 -178.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' C ' ' H ' ' A' ' 107' ' ' GLU . 44.7 m-20 -51.06 114.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.584 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 37.3 t -48.53 -13.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 105' ' ' ASP . 45.0 tp10 -77.1 -36.33 55.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.488 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.8 61.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.535 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 55.49 65.86 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 m -94.96 124.44 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.199 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -111.64 140.21 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.427 . . . . 1.0 110.973 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -124.03 156.88 35.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.916 177.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 114' ' ' SER . 27.0 mt -156.98 164.13 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.002 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.5 ' N ' ' CG2' ' A' ' 113' ' ' ILE . 59.6 p -75.8 174.21 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.374 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -165.4 68.41 1.24 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.615 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.49 -31.26 38.51 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.848 2.365 . . . . 1.0 112.08 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.01 -35.2 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.8 t -113.66 132.28 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -162.48 140.51 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.498 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.81 48.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 37.8 mt -86.91 139.26 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.807 0.336 . . . . 1.0 110.585 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.2 t -137.99 137.51 37.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.89 -24.53 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.537 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -58.64 -24.91 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.611 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -97.18 109.42 49.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.57 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -48.8 158.83 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.735 2.29 . . . . 1.0 112.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.422 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 67.9 mt 48.16 -103.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.45 -21.63 41.73 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -133.16 159.56 72.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 1.0 110.604 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.601 ' C ' ' H ' ' A' ' 132' ' ' GLN . 15.7 Cg_endo -55.58 162.34 6.52 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.982 2.455 . . . . 1.0 112.236 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 -3.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.601 ' H ' ' C ' ' A' ' 130' ' ' PRO . 32.2 mm-40 -134.67 166.01 23.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.454 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.578 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.99 84.72 30.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.585 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.46 141.87 13.88 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.909 2.406 . . . . 1.0 112.265 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 22.2 m -121.9 130.28 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.368 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.485 ' CG ' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -40.92 157.86 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.707 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.408 ' CD ' ' OD1' ' A' ' 136' ' ' ASP . 31.4 Cg_exo -56.09 -30.08 77.35 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.949 2.432 . . . . 1.0 111.778 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.755 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -62.03 -29.7 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.659 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.914 ' ND1' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -86.96 -28.85 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.128 176.388 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.9 t -59.43 -50.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.181 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.22 -46.19 84.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.408 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.58 -43.5 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.335 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.31 -44.69 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.485 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -56.86 -45.54 82.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.641 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.7 p -62.8 -15.65 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.542 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.4 mmm -97.75 0.97 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.505 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.74 71.01 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.61 140.9 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 1.0 110.615 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.98 -32.47 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.196 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.1 t -152.98 118.53 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.014 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -127.09 141.22 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.948 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.5 tp -104.09 131.96 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.115 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.87 127.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.962 0.411 . . . . 1.0 111.038 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.05 96.61 36.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.108 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . 0.433 ' HG3' ' CD2' ' A' ' 95' ' ' PHE . 51.7 Cg_exo -50.64 148.32 15.93 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.882 2.388 . . . . 1.0 112.798 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.21 111.77 20.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.13 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.438 ' O ' ' OG ' ' A' ' 192' ' ' SER . 9.6 ptm -138.39 162.87 33.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 1.0 110.681 -175.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.57 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 64.4 t60 -143.6 122.2 12.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 51.5 t-80 76.18 -113.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -177.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.43 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 5.4 pp0? -118.4 -6.82 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.5 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -104.44 158.99 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.697 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -106.64 129.49 54.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.451 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.3 -44.74 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.588 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.51 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.05 -177.48 31.2 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.247 -0.741 . . . . 1.0 111.247 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 165' ' ' LEU . 3.5 mp -137.08 136.67 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 1.0 110.681 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.32 149.52 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.148 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.3 p -158.76 135.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 1.0 111.033 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.28 138.16 52.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.16 178.079 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 48' ' ' THR . 12.7 m80 -109.46 127.87 54.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.062 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.551 ' NE2' ' OG1' ' A' ' 48' ' ' THR . 76.8 m-70 -123.96 124.88 43.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.334 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.63 64.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 0.1 OUTLIER -127.43 158.0 71.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.76 140.82 96.67 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.875 2.383 . . . . 1.0 112.183 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -160.07 84.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.319 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.52 157.13 12.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.803 2.335 . . . . 1.0 112.263 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -109.64 145.13 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.452 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -103.87 156.85 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.657 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.58 -44.99 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.384 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -43.92 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -74.23 -8.07 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 185' ' ' GLN . 32.7 tp -83.03 -42.83 17.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.267 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 186' ' ' LEU . 92.9 mm-40 -65.09 -50.65 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.206 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . 0.539 ' CG2' ' N ' ' A' ' 184' ' ' VAL . 21.5 m -47.15 -53.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.146 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.539 ' N ' ' CG2' ' A' ' 183' ' ' VAL . 7.6 p -76.37 -53.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.126 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 181' ' ' LEU . 63.4 tt0 -50.06 -38.89 40.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.92 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 182' ' ' GLN . 46.6 tp -74.81 -44.49 49.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.011 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 59.1 tp -52.45 -46.95 66.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.845 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.97 88.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.752 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.721 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.72 -30.73 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.2 t -75.14 -51.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.029 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 157' ' ' MET . 42.6 p -53.63 -31.38 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.022 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -69.69 -34.19 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.076 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.14 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.275 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.5 mt -55.41 -53.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.269 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.57 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -61.97 -46.84 87.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.283 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -60.86 -47.01 88.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.338 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -52.78 -41.51 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.452 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.56 -35.82 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.0 m -50.91 -59.66 3.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.882 -1.056 . . . . 1.0 110.507 179.572 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.744 HMD2 ' NE2' ' A' ' 139' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -53.53 -32.3 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.698 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -76.56 -48.64 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.12 -52.27 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.597 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' ' OG1' ' A' ' 38' ' ' THR . 59.2 mt -56.56 -32.89 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.624 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -62.83 -42.91 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.84 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.796 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.527 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 72.7 p -68.77 -37.17 79.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.689 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.4 p -69.1 -26.89 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.699 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.25 -33.66 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.772 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.89 -53.68 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.475 ' CG2' ' H ' ' A' ' 43' ' ' ARG . 34.4 m -52.81 -53.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.721 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -49.47 -42.72 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.687 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -52.92 -41.96 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.41 -35.14 78.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.558 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.92 -11.99 25.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.6 28.67 10.84 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.433 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.3 142.32 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 1.0 110.618 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.7 p30 -54.05 -39.05 65.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.502 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.582 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 15.7 ttt85 -144.12 132.44 21.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.904 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 6.5 t -141.61 131.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.873 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.571 ' HZ2' HBB1 ' A' ' 301' ' ' CYC . 32.1 pttt -136.85 151.29 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.025 0.441 . . . . 1.0 111.213 -177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.77 137.73 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.826 177.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.406 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 52.8 t80 -117.27 113.92 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 1.0 111.144 -177.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -92.86 131.68 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.939 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 75.1 t80 -98.44 127.69 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.961 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -94.8 160.84 30.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.484 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.74 -22.35 57.26 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.868 2.379 . . . . 1.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -90.04 -6.84 55.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.578 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.91 -15.42 51.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 71.6 m80 -74.48 141.73 44.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 1.0 110.589 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -126.97 148.08 17.17 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 p -129.32 152.01 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 1.0 110.515 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.45 109.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -103.85 -3.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.391 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.83 126.41 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.534 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.552 ' CD ' HH21 ' A' ' 50' ' ' ARG . 49.0 tt0 -158.51 139.33 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.433 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.89 138.57 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.689 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -117.81 140.83 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.589 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.2 136.16 12.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.96 36.74 1.95 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 42.13 19.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 1.0 110.61 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.8 tpt180 -55.66 -45.15 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -108.08 146.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.607 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.571 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 40.2 Cg_endo -67.74 158.86 55.31 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.763 2.308 . . . . 1.0 112.053 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.441 ' HA ' HH22 ' A' ' 50' ' ' ARG . 69.5 m -85.05 118.71 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.735 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.36 3.15 45.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 18.4 tp -56.42 137.16 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.508 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -8.7 76.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -84.72 145.74 27.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.34 . . . . 1.0 110.549 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -107.56 138.49 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -105.58 141.65 23.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 1.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -73.74 142.11 31.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.698 2.265 . . . . 1.0 112.179 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -69.72 -35.43 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.16 -17.41 0.34 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ALA . 94.4 m-20 -64.38 -21.36 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 1.0 110.429 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.0 mt -145.47 99.48 4.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.548 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.447 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.9 Cg_exo -37.88 -82.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.846 2.364 . . . . 1.0 112.131 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.4 tt0 -174.9 -33.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.57 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -56.33 -44.98 80.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.48 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.83 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -70.38 -31.55 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.696 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.54 -42.6 91.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.601 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 98' ' ' ALA . 10.3 mt -58.67 -34.31 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.584 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 6.6 m-85 -72.59 -24.74 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.692 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.497 ' C ' HE22 ' A' ' 99' ' ' GLN . 55.7 ttp180 -86.61 -27.66 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.762 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.32 -40.17 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.208 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.62 -26.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.199 -175.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.742 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 39.3 51.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.809 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 99' ' ' GLN . 35.8 t -162.12 127.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.583 HH11 ' C ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -173.44 130.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.493 177.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.51 ' N ' HH11 ' A' ' 101' ' ' ARG . 4.5 m -144.7 154.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.612 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.9 129.89 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.56 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.46 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 11.9 t -85.12 173.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.419 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.46 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 25.9 m-20 -49.21 117.72 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.517 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -50.68 -16.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.556 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 105' ' ' ASP . 85.4 tt0 -74.08 -37.19 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.432 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.7 -15.54 30.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.503 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 53.4 69.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.701 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -92.14 122.22 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.185 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -110.53 138.87 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 1.0 111.029 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.32 154.04 36.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.906 177.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.5 pt -154.89 161.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 1.0 111.063 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 p -76.9 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.4 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 117' ' ' GLU . 3.4 pt20 -164.41 153.14 11.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.691 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.3 -44.23 5.09 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.826 2.35 . . . . 1.0 112.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.517 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 15.0 tm-20 -103.54 128.94 50.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.5 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.4 m -151.96 160.75 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -99.35 163.31 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.531 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.95 12.19 40.8 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.62 -33.48 66.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 1.0 110.531 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.6 m -97.38 150.96 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 124' ' ' ARG . . . -58.83 -52.45 65.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.601 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' ALA . 53.7 mtm-85 39.12 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.483 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.3 153.52 68.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.62 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.23 125.5 8.84 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.783 2.322 . . . . 1.0 112.137 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 174.54 129.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.532 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.45 38.29 11.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -106.79 110.51 63.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 1.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.46 152.13 1.58 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.869 2.379 . . . . 1.0 112.229 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.56 -28.94 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.48 130.7 44.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.559 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -123.73 107.75 31.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.621 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.89 144.89 7.6 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.929 2.419 . . . . 1.0 112.327 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.45 135.18 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.465 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.49 141.52 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.69 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -44.71 -29.4 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.949 2.433 . . . . 1.0 111.764 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.842 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.6 OUTLIER -57.77 -40.32 79.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 -179.552 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -82.81 -31.65 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.192 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.08 -60.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.176 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.79 -43.1 98.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.32 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -46.24 -40.87 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.308 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 30.2 mt -74.97 -42.34 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.444 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -57.31 -45.07 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.504 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.3 p -63.73 -16.13 60.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 25.4 mmm -96.93 -1.43 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.58 21.74 71.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.94 141.77 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 1.0 110.691 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.71 -46.3 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.224 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 42.0 t -133.57 120.9 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.094 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.1 p -129.07 138.62 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 1.0 110.954 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.83 130.48 56.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.052 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 101' ' ' ARG . 0.8 OUTLIER -118.08 141.57 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 1.0 111.039 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.55 98.27 23.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.024 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -49.69 151.69 7.5 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.933 2.422 . . . . 1.0 112.816 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -115.8 110.38 18.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.169 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.536 ' N ' ' OG ' ' A' ' 192' ' ' SER . 9.5 ptm -137.89 155.32 49.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 1.0 110.717 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.644 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 2.4 t-80 -137.25 124.61 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.526 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.644 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 45.7 m-70 77.14 -118.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -115.76 -0.08 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.475 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.44 161.68 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.628 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.5 tp -107.84 128.88 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.457 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -99.81 -43.27 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.736 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -158.11 -176.24 29.94 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 166' ' ' LEU . 1.9 tt -139.63 130.23 25.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.871 0.367 . . . . 1.0 110.709 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 165' ' ' LEU . 5.0 tp -95.19 144.48 25.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.164 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.74 130.06 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 1.0 111.016 -177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.25 130.94 56.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.207 177.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -111.67 134.22 53.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.12 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.46 130.21 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.37 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.69 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.684 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 9.9 mp0 -92.49 151.53 41.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.468 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.25 13.59 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.746 2.297 . . . . 1.0 112.216 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -48.87 126.56 13.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.353 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.26 170.9 16.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.843 2.362 . . . . 1.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -96.8 137.44 35.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.443 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 35.8 t -87.61 153.12 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.683 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.32 -31.44 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.7 -49.31 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.422 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.482 ' O ' ' CG2' ' A' ' 184' ' ' VAL . 96.7 mt-10 -72.17 -12.97 61.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.404 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 181' ' ' LEU . 3.4 tt -66.38 -66.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.286 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 11.7 pt20 -71.05 -50.46 33.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.203 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . 0.493 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 60.9 t -42.42 -46.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.064 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 180' ' ' GLU . 92.7 t -74.24 -46.15 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.183 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -45.79 -31.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.979 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 190' ' ' GLN . 20.4 tp -72.77 -43.95 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.913 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 80.3 mt -56.09 -48.92 75.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.831 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.786 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.39 -34.84 72.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 1.0 109.726 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 186' ' ' LEU . 63.2 tt0 -71.79 -30.03 65.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.855 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 31.3 t -75.58 -50.2 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.011 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 157' ' ' MET . 6.3 t -53.96 -33.26 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.033 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 33.3 mt -68.06 -31.41 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.112 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.94 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.216 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.1 mt -55.32 -53.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.245 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.604 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -64.79 -48.06 75.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.215 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -60.83 -46.6 89.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.308 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.49 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.28 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -52.36 -41.73 63.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.458 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 tp -47.9 -34.33 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.419 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 94.6 p -50.0 -59.79 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.463 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.581 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.842 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 1.0 110.53 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -49.34 -35.2 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -75.25 -51.33 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.697 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.4 mt -57.34 -46.45 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.612 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' O ' ' OG1' ' A' ' 38' ' ' THR . 30.1 mt -56.91 -31.41 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.618 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -63.83 -41.21 97.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.773 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' O ' ' OE1' ' A' ' 41' ' ' GLU . . . -74.58 -27.07 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.557 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 65.2 p -66.69 -36.48 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.12 -24.45 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.736 -178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.57 -46.38 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.773 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 7.8 mp0 -70.54 -38.27 74.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.71 -54.26 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.75 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.768 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ttm180 -50.19 -44.47 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.717 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.61 78.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.615 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -62.78 -42.2 99.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mt -94.47 -13.04 26.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.522 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.768 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.84 26.3 5.59 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.6 p -75.98 142.73 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -49.07 -43.72 41.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.502 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.69 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 69.4 ttt180 -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.929 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -148.6 133.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.91 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.776 ' NZ ' HBB3 ' A' ' 301' ' ' CYC . 20.8 pttt -138.06 154.44 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.074 0.464 . . . . 1.0 111.178 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.3 t -99.99 139.56 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.656 . . . . 1.0 109.841 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 6.6 t80 -125.43 125.65 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 1.0 111.211 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -99.72 137.69 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.907 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -99.77 131.67 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 1.0 110.932 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.561 ' CG ' ' NE2' ' A' ' 61' ' ' HIS . 1.3 m-20 -98.04 152.08 37.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.47 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.84 -21.76 42.08 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.844 2.363 . . . . 1.0 112.065 -176.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 57.5 tt0 -86.28 -8.36 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.596 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 -16.48 45.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.561 ' NE2' ' CG ' ' A' ' 57' ' ' ASP . 28.3 p-80 -82.18 152.73 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 1.0 110.56 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -137.16 160.86 25.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 p -134.94 157.95 45.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 1.0 110.586 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.67 110.68 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.645 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.51 -2.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.422 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.61 126.33 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.605 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HG3' HH21 ' A' ' 50' ' ' ARG . 13.5 tm-20 -158.37 140.39 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.433 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.05 136.95 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.65 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -116.67 140.65 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.632 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.68 119.33 6.47 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 54.57 40.08 68.75 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 40.97 22.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 71' ' ' GLY . 24.1 ttm180 -60.88 -49.46 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.536 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.79 150.91 37.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.554 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 55.8 Cg_endo -71.41 147.49 52.63 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.77 2.314 . . . . 1.0 111.991 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.4 m -83.58 111.1 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.704 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.69 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 17.6 mt -96.12 8.08 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.532 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.9 tp -56.43 135.53 54.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.495 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -6.17 83.88 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.5 mt -88.21 144.24 26.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 1.0 110.545 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.5 p -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.455 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 26.4 m-85 -115.63 146.4 36.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.484 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -71.03 147.52 54.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.69 2.26 . . . . 1.0 112.119 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.91 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.72 -16.56 1.72 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 62.5 t0 -73.2 -21.62 60.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 2.0 mt -118.23 101.31 51.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.58 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.3 Cg_exo -45.74 -117.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.881 2.387 . . . . 1.0 112.138 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.9 tt0 -160.62 -54.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 90' ' ' GLU . 1.6 pm0 -45.8 -42.93 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.682 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.77 -44.0 64.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.784 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.11 -33.45 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.762 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 95.6 mtt-85 -62.02 -33.05 73.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.62 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 98' ' ' ALA . 27.4 mt -64.78 -31.86 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.603 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.588 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 10.5 m-85 -71.81 -35.03 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 45.6 ttp180 -86.21 -20.59 28.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.785 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.678 ' N ' HE22 ' A' ' 99' ' ' GLN . 97.1 mt -103.27 -46.96 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.182 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -104.56 -20.84 13.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.197 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.768 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.48 55.97 6.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.8 -178.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.5 t -153.35 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.444 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.448 HH11 ' HG3' ' A' ' 101' ' ' ARG . 12.2 tpt85 -159.76 125.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.518 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.58 149.13 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.577 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.79 129.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.594 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.22 176.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.445 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.414 ' OD1' ' OG ' ' A' ' 150' ' ' SER . 15.4 m-20 -52.19 117.56 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.3 t -52.17 -15.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.602 179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -75.87 -35.83 59.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.413 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.68 -14.41 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.523 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.671 ' NE2' HH21 ' A' ' 111' ' ' ARG . 53.1 tt0 53.93 67.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.689 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -88.68 123.23 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.206 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.671 HH21 ' NE2' ' A' ' 109' ' ' GLN . 98.9 mtt180 -109.78 133.35 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.974 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -114.53 145.74 41.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.842 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -147.53 154.78 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 1.0 110.99 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -76.76 167.58 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.409 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -155.88 148.12 17.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.62 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 118' ' ' SER . 87.1 Cg_exo -41.47 132.49 3.58 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.812 2.341 . . . . 1.0 112.045 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 118' ' ' SER . 96.2 mt-10 42.58 -87.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.55 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 116' ' ' PRO . 0.7 OUTLIER 82.18 172.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.58 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -58.24 138.68 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.502 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -93.86 -74.08 1.24 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.21 130.85 36.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 1.0 110.522 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.8 p -94.6 -1.89 52.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.55 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.576 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.03 -34.45 76.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.72 93.33 46.33 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.621 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 128' ' ' GLY . 21.6 Cg_exo -67.39 158.53 56.59 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 1.0 112.128 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 127' ' ' LEU . 9.7 mp 40.95 -96.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 80.19 19.51 69.34 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.874 -0.891 . . . . 1.0 110.874 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -144.81 161.85 41.21 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 1.0 110.592 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.663 ' C ' ' H ' ' A' ' 132' ' ' GLN . 83.0 Cg_exo -43.85 168.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.931 2.421 . . . . 1.0 112.204 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.74 14.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.663 ' H ' ' C ' ' A' ' 130' ' ' PRO . 58.1 mm-40 -138.58 155.23 48.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.453 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -126.47 114.2 23.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.41 141.79 14.4 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.938 2.426 . . . . 1.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.04 135.39 62.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.375 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.4 m-20 -40.01 138.38 1.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.757 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.53 -18.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.015 2.477 . . . . 1.0 111.762 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.808 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -63.1 -51.11 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -71.04 -30.75 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.131 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.69 -58.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.25 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -66.09 -46.15 78.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.341 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -44.89 -41.41 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.333 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.78 -41.31 60.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.467 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -58.52 -44.27 89.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.491 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.5 m -63.73 -18.33 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 13.9 mmm -94.4 0.1 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.23 72.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.1 t -110.17 143.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 1.0 110.696 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.06 -45.61 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.187 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.414 ' OG ' ' OD1' ' A' ' 105' ' ' ASP . 68.2 m -133.6 121.62 22.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.031 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 168' ' ' SER . 30.0 t -129.8 139.98 51.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 1.0 110.939 -179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.18 134.41 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.081 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 45.3 t -113.81 128.96 70.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 1.0 110.992 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.1 117.44 15.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.009 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 150.45 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.976 2.451 . . . . 1.0 112.794 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.43 110.31 19.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.098 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.3 ptm -136.56 159.11 42.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 1.0 110.694 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.536 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 39.0 t-80 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.569 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 19.9 t60 64.89 -105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.507 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.25 -6.18 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.481 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' A' ' 162' ' ' LEU . 28.2 tp10 -102.97 152.37 21.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.582 -175.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.404 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 23.8 tp -104.84 125.73 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 177.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -99.63 -41.95 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.692 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.75 -176.11 35.34 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.6 141.03 37.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 1.0 110.698 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.1 tp -103.91 150.84 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.164 178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.51 132.82 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 1.0 111.066 -179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 151' ' ' SER . 8.5 m -117.24 136.99 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.169 178.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -108.4 130.38 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 1.0 111.088 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.656 ' CD2' HH12 ' A' ' 174' ' ' ARG . 4.9 t60 -128.42 128.08 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.335 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -71.75 -26.4 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.584 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.2 153.59 37.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.548 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.47 ' O ' ' O ' ' A' ' 174' ' ' ARG . 48.2 Cg_endo -69.81 -92.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.842 2.361 . . . . 1.0 112.225 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.656 HH12 ' CD2' ' A' ' 170' ' ' HIS . 20.8 ttp-105 58.68 127.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.55 164.95 27.84 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.83 2.354 . . . . 1.0 112.14 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -106.36 148.32 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.6 t -91.0 151.87 20.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . 0.438 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 4.0 mp0 -61.73 -30.54 70.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -81.09 -56.11 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.07 -36.29 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.354 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -69.67 -50.46 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.246 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 58.1 t -43.63 -41.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.128 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 93.2 t -74.71 -50.02 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -49.0 -34.91 14.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.877 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.19 -44.49 62.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 1.0 109.993 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 56.3 tp -51.93 -45.07 64.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.836 179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.31 87.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.769 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -59.28 -37.72 78.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.701 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.66 -30.74 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.867 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.6 t -76.2 -49.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.054 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 12.2 p -54.23 -32.71 56.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.013 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -67.89 -34.75 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.113 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.06 86.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.252 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.78 -47.78 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.201 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.536 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -67.51 -50.05 60.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.273 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -60.72 -47.19 87.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.265 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.64 -33.61 76.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.319 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.99 -41.65 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.418 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 9.5 mp -48.9 -35.04 13.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.468 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.1 m -53.17 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.513 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.808 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.8 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -50.32 -34.61 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.667 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -75.26 -50.65 15.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.9 mt -58.58 -45.71 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.705 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.55 ' O ' ' OG1' ' A' ' 38' ' ' THR . 32.6 mt -57.54 -31.16 65.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.599 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -64.17 -41.06 97.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.759 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.713 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.55 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 61.7 p -66.9 -37.17 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.741 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -25.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.719 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.38 -44.85 61.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.707 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.24 -36.0 71.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.65 -53.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.8 ttp85 -51.16 -44.96 61.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.7 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.63 80.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.646 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.76 -41.6 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.55 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.37 -13.31 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.747 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.04 26.52 6.09 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 p -75.98 142.42 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 1.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -47.74 -45.16 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.761 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 44.2 ttt85 -145.86 137.32 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.883 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.66 132.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 175.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.694 ' CE ' HBB1 ' A' ' 301' ' ' CYC . 10.6 pttm -137.67 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 1.0 111.142 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.2 t -101.08 140.01 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.861 177.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 22.4 t80 -123.85 123.34 40.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.98 0.419 . . . . 1.0 111.188 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' CA ' ' A' ' 62' ' ' GLY . 16.5 ptm180 -103.96 144.91 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.971 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 132.74 47.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 1.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 60' ' ' GLY . 6.4 m-20 -96.78 155.52 37.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.475 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -38.66 -51.86 2.18 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.784 2.322 . . . . 1.0 112.113 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 97.3 mt-10 -70.18 -12.18 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 -178.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.3 -6.24 53.09 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 50.2 p-80 -82.75 101.09 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 1.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -85.63 167.42 40.65 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.2 p -137.7 161.04 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 1.0 110.595 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.537 HG11 ' H ' ' A' ' 79' ' ' GLY . 14.9 p -95.09 110.35 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.585 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 18.3 t -109.88 -0.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.397 -177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.6 126.94 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.522 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -161.81 141.12 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.517 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.7 144.12 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.632 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.39 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.83 139.35 14.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.43 44.59 3.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' GLY . 17.5 pt-20 33.18 31.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 1.0 110.59 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.0 ttm180 -69.24 -45.92 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.531 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.78 127.03 29.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.489 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.2 Cg_exo -49.49 156.75 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.816 2.344 . . . . 1.0 112.023 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.429 ' HA ' HH22 ' A' ' 50' ' ' ARG . 35.2 t -85.49 118.77 25.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.672 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.761 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 41.8 mt -100.83 7.29 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.463 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.3 137.06 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.485 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.537 ' H ' HG11 ' A' ' 64' ' ' VAL . . . 88.65 -6.55 83.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 176.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.86 141.63 28.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 1.0 110.505 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 t -102.34 134.52 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -104.9 108.29 60.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.492 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 53.1 Cg_exo -47.21 145.05 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.771 2.314 . . . . 1.0 112.174 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.801 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.39 -19.15 0.67 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 35.0 p-10 -65.8 -31.01 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 1.0 110.475 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 87' ' ' ILE . 34.9 mm -113.14 132.57 22.34 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.56 -105.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -160.67 -49.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -53.32 -43.97 68.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.683 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.09 -37.87 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.825 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -63.37 -32.12 73.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 97' ' ' LEU . 95.1 mtt180 -64.84 -37.76 88.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.07 -37.19 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.6 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.446 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 76.0 m-85 -67.89 -34.91 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.676 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.466 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 27.7 ttm105 -88.34 -22.88 23.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.813 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.516 ' C ' HE22 ' A' ' 99' ' ' GLN . 67.9 mt -95.37 -50.67 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.156 -175.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.519 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -107.55 -14.65 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.238 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.724 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 44.05 55.17 5.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.838 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 11.0 m -159.4 124.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.354 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -171.07 128.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.3 p -144.96 154.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.6 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 4.5 mt -106.75 127.03 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.437 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 16.7 t -83.54 170.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 -177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.437 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 62.6 t0 -51.77 116.52 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.08 -17.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.62 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -74.43 -38.03 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.465 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -17.16 40.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.555 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 55.28 65.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.715 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 m -89.82 124.74 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.208 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 -111.36 131.66 55.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 1.0 110.934 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.475 ' OG ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -117.18 150.81 38.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.94 177.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.445 ' CD1' ' C ' ' A' ' 112' ' ' SER . 5.2 mp -149.9 158.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.747 -0.381 . . . . 1.0 111.021 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.409 ' N ' ' CG2' ' A' ' 113' ' ' ILE . 66.6 m -73.73 174.14 8.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.359 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -143.94 152.75 56.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.606 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.36 -4.56 12.06 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.883 2.388 . . . . 1.0 112.059 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 119' ' ' TRP . 78.0 mm-40 -57.15 -38.11 73.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.56 ' OG ' ' N ' ' A' ' 119' ' ' TRP . 6.2 p 65.9 -63.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.559 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.56 ' N ' ' OG ' ' A' ' 118' ' ' SER . 99.2 m95 -65.74 137.21 57.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -104.6 -75.76 1.05 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.0 mt 43.75 72.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.318 . . . . 1.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.9 m -85.93 0.74 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.489 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' CB ' HH11 ' A' ' 124' ' ' ARG . . . -65.72 -54.8 22.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.628 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 9.3 mpt_? -70.99 -29.37 65.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.559 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.26 101.11 31.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.547 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.08 145.43 11.07 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.802 2.334 . . . . 1.0 112.121 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.452 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 62.6 mt 40.04 -111.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.579 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.82 10.0 60.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -119.63 171.8 5.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 1.0 110.605 179.417 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.646 ' C ' ' H ' ' A' ' 132' ' ' GLN . 75.8 Cg_exo -49.55 168.29 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.002 2.468 . . . . 1.0 112.194 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' A' ' 132' ' ' GLN . 50.4 mt -65.33 16.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.504 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.646 ' H ' ' C ' ' A' ' 130' ' ' PRO . 12.8 mm100 -139.07 150.32 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.54 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.67 112.78 40.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 1.0 110.614 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.26 139.36 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.981 2.454 . . . . 1.0 112.288 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.68 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.399 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.51 ' C ' ' H ' ' A' ' 138' ' ' CYS . 1.2 m-20 -42.02 143.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.743 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.16 -11.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.985 2.457 . . . . 1.0 111.803 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.51 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -59.94 -40.04 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.606 179.17 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.427 ' HE2' ' C3A' ' A' ' 301' ' ' CYC . 0.3 OUTLIER -86.03 -21.96 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.145 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 33.7 t -58.03 -63.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.256 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -66.16 -49.91 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -45.84 -43.41 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.74 -45.69 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -56.51 -45.81 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.5 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -64.33 -16.8 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.563 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.5 mmm -97.3 -1.59 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.05 72.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.56 142.25 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 1.0 110.72 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.27 -47.79 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.171 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.2 t -134.31 120.16 19.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.041 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.3 p -131.72 143.72 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.989 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 tp -101.76 134.73 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.118 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -113.82 127.3 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 1.0 110.937 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 166' ' ' LEU . 3.8 t -132.83 118.34 15.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.007 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.98 153.82 37.51 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.935 2.423 . . . . 1.0 112.751 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.3 mt -116.83 109.75 17.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.121 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.535 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 17.9 ptm -134.49 158.96 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.382 . . . . 1.0 110.698 -174.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.538 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 31.0 t-80 -131.72 121.93 25.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.573 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 54.6 t60 65.01 -106.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.54 -4.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.522 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -102.74 149.53 24.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.619 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.8 tp -103.07 127.12 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.456 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -101.43 -43.63 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.652 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.21 -176.79 33.7 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.201 -0.76 . . . . 1.0 111.201 -176.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.7 mp -139.81 139.95 36.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.785 0.326 . . . . 1.0 110.649 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 167' ' ' VAL . 8.0 tp -103.87 152.81 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.235 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.451 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.3 p -158.97 137.31 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 111.059 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.5 p -119.17 132.87 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.144 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -104.22 131.64 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 1.0 111.061 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -126.61 120.16 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.364 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.96 -23.09 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.645 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.74 163.12 17.82 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.53 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 174' ' ' ARG . 43.2 Cg_endo -69.69 -88.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.807 2.338 . . . . 1.0 112.239 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' PRO . 12.5 tpt180 58.7 120.62 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.74 165.05 27.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.895 2.397 . . . . 1.0 112.179 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -106.81 145.19 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 10.6 t -89.92 153.3 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.651 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.26 -31.8 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.437 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -87.28 -48.3 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.416 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.4 -28.14 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.401 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.4 tp -76.24 -46.91 25.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.286 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.66 -53.31 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.8 p -45.35 -40.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.006 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.486 ' N ' ' CG1' ' A' ' 183' ' ' VAL . 55.5 t -71.99 -51.74 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.176 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.09 -29.46 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.987 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -44.72 65.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.96 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 86.0 mt -51.32 -45.62 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.754 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.45 98.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.831 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -62.12 -40.5 96.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.773 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.8 -29.26 70.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.0 109.86 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.4 t -77.3 -47.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 13.5 p -54.26 -35.53 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.949 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.45 -35.81 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.129 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.261 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.5 mt -55.98 -49.01 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.21 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.538 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -66.06 -49.55 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.23 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.91 -48.07 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.335 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.309 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -52.19 -41.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.393 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.01 -33.94 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.389 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.4 m -52.02 -60.07 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 9.8 mp . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.694 HBB1 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 66.1 t0 -51.97 -33.56 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.13 -49.47 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.42 -46.06 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' OG1' ' A' ' 38' ' ' THR . 22.3 mt -58.18 -32.13 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.699 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -68.44 -39.21 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.743 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.04 -25.49 58.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.739 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 34.2 p -69.74 -38.1 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.684 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.4 p -68.78 -25.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.717 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -78.57 -37.95 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.72 -54.15 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.718 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' A' ' 43' ' ' ARG . 26.1 m -53.57 -47.83 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.729 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' N ' ' A' ' 47' ' ' GLY . 43.3 ttt180 -52.07 -45.95 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.56 62.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -67.94 -35.49 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.58 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.41 -14.6 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.545 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.01 27.15 6.47 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.561 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 12.8 p -76.28 142.63 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 1.0 110.608 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.78 -45.82 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.676 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 43.4 ttt180 -143.24 134.46 25.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.874 -175.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 10.8 t -139.81 130.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.826 -0.624 . . . . 1.0 109.965 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 147.4 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 1.0 111.116 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.1 t -98.23 138.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.862 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.0 t80 -116.34 115.01 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.092 0.473 . . . . 1.0 111.196 -177.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -91.67 130.17 37.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.001 179.17 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 3.9 t80 -98.03 128.98 44.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.905 0.383 . . . . 1.0 110.964 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 4.6 m-20 -91.82 151.17 41.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.476 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.5 -19.54 36.91 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.871 2.381 . . . . 1.0 112.123 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.56 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.66 -17.27 59.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 73.1 m80 -77.49 150.08 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 1.0 110.673 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.454 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -136.71 159.32 24.49 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.6 p -135.14 158.79 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 1.0 110.585 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -90.12 107.5 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.636 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -104.46 -5.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -154.91 126.13 7.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.512 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.603 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.8 tt0 -158.62 139.23 12.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.44 134.64 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.616 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.593 ' NH2' ' HG ' ' A' ' 76' ' ' SER . 6.6 ptp180 -114.17 140.62 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.607 -177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA2' HH22 ' A' ' 43' ' ' ARG . . . -99.2 137.92 13.55 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.03 34.89 0.33 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.67 16.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.355 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 63.6 ttt180 -53.29 -46.52 69.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.529 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.82 148.75 36.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.547 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.658 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 39.8 Cg_endo -67.6 157.31 62.34 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.815 2.343 . . . . 1.0 112.002 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.593 ' HG ' ' NH2' ' A' ' 69' ' ' ARG . 5.7 t -89.0 119.51 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.727 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.676 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 21.0 mt -103.12 8.8 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 tp -62.55 139.27 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.545 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.33 81.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.4 mt -86.33 145.96 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.53 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.3 t -104.43 132.54 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -100.38 139.19 20.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.87 137.08 28.87 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.721 2.281 . . . . 1.0 112.126 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.92 84.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.05 -19.06 3.37 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -69.62 -27.82 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 1.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PRO . 5.7 mt -114.98 91.1 25.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.632 ' O ' ' O ' ' A' ' 87' ' ' ILE . 75.0 Cg_exo -37.4 -113.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.878 2.385 . . . . 1.0 112.166 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 85.8 tt0 -159.04 -53.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.633 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -48.32 -41.9 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.708 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.99 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.798 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -63.95 -33.94 76.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.638 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 64.8 mmt-85 -63.31 -37.1 85.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -35.15 74.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 55.7 m-85 -67.76 -34.83 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.609 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 36.6 ttm180 -88.95 -19.44 25.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.812 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.519 ' C ' HE22 ' A' ' 99' ' ' GLN . 70.7 mt -93.47 -51.76 4.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.208 -176.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.81 -11.13 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.18 -172.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.758 ' NE2' ' N ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER 44.65 48.85 8.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.837 -178.406 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 24.2 t -155.41 115.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.36 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 5.4 mtp85 -169.37 128.61 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.496 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.4 p -145.09 155.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.612 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 51.6 mt -106.57 129.32 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.53 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.428 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 6.3 p -84.89 173.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.422 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.428 ' H ' ' CG2' ' A' ' 104' ' ' VAL . 65.5 t0 -51.99 117.84 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.582 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.93 -20.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.556 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.12 -39.64 82.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.435 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.03 -12.1 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.54 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 52.54 69.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 p -94.52 122.62 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.197 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -110.64 135.93 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.028 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.535 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.1 p -117.71 153.38 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.897 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 114' ' ' SER . 36.4 mt -154.48 160.87 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 1.0 111.009 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.436 ' N ' ' CG2' ' A' ' 113' ' ' ILE . 57.3 m -71.29 162.04 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.412 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -158.04 151.04 18.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.679 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.05 131.94 26.68 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.825 2.35 . . . . 1.0 112.029 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 46.85 76.89 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.4 t -62.3 -97.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.551 ' HE1' ' CB ' ' A' ' 122' ' ' SER . 63.3 t-105 -142.62 160.81 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.537 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.36 -177.19 51.73 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' SER . 52.1 mt -57.38 -45.72 84.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 1.0 110.557 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.551 ' CB ' ' HE1' ' A' ' 119' ' ' TRP . 35.5 m 39.63 36.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.555 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.503 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -63.67 -55.75 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -48.93 -12.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.618 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.503 ' H ' ' C ' ' A' ' 123' ' ' ALA . 8.8 t -99.98 130.75 25.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.564 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 128' ' ' GLY . 73.8 Cg_endo -75.81 160.36 37.56 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.804 2.336 . . . . 1.0 112.055 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.644 ' C ' ' H ' ' A' ' 129' ' ' GLU . 54.3 mt 57.71 -79.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.498 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 67.51 -29.3 0.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.644 ' H ' ' C ' ' A' ' 127' ' ' LEU . 65.5 mm-40 -127.4 136.12 28.45 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 1.0 110.623 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -46.44 157.51 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.934 2.423 . . . . 1.0 112.192 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.42 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 57.5 mt -57.99 -32.01 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.482 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 132' ' ' GLN . 1.8 pt20 -129.69 132.03 46.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.496 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -132.51 154.92 81.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.59 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.81 139.8 17.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.894 2.396 . . . . 1.0 112.28 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 3.2 p -108.05 126.42 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.412 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.535 ' N ' ' OG ' ' A' ' 112' ' ' SER . 13.5 t70 -38.01 137.61 0.73 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -47.34 -43.34 26.71 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.95 2.433 . . . . 1.0 111.706 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.448 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -52.85 -30.06 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.56 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.644 ' NE2' ' NA ' ' A' ' 301' ' ' CYC . 1.0 OUTLIER -88.25 -27.76 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.112 177.735 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.37 -50.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.225 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -63.53 -46.56 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.1 -43.84 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.3 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.17 -45.41 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -53.97 -44.31 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.7 m -64.18 -17.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.57 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.6 mmm -96.19 -4.67 42.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.89 20.81 72.71 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.6 136.1 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 1.0 110.62 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.09 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.1 m -130.41 114.92 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.006 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.5 m -131.38 143.73 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.023 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 mt -102.2 130.53 48.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.012 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.97 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.01 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 166' ' ' LEU . 42.8 t -108.89 123.01 38.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.969 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.11 156.01 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.883 2.388 . . . . 1.0 112.807 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.9 mt -116.25 108.87 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.611 . . . . 1.0 110.183 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.5 ptm -136.01 161.0 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 1.0 110.719 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.554 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 54.9 t-80 -143.38 122.39 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.456 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 0.8 OUTLIER 77.0 -114.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.546 -177.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -117.74 -4.8 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.482 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -106.41 158.74 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.63 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -108.51 129.46 55.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.447 178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -100.52 -41.93 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.88 -176.3 33.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.158 -0.777 . . . . 1.0 111.158 -177.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.6 mp -138.72 139.56 38.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 1.0 110.647 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 167' ' ' VAL . 8.2 tp -104.74 153.49 21.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.152 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.422 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 11.3 p -160.98 138.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 1.0 111.081 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 89.8 p -116.56 137.34 52.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.121 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -106.17 127.94 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 1.0 111.032 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -125.09 119.7 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.393 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.95 -22.27 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.72 156.24 43.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.526 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.47 -81.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.807 2.338 . . . . 1.0 112.172 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 50.64 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.408 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.45 164.95 1.77 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.863 2.375 . . . . 1.0 112.216 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -109.69 148.3 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 17.0 t -88.3 151.15 22.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.629 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.95 -27.8 68.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.427 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -81.16 -56.12 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.73 -37.06 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.364 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.25 -46.61 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.324 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -70.74 -51.27 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.199 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.3 t -44.35 -42.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 71.2 t -72.68 -49.98 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.169 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -46.83 -31.34 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.979 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.4 -46.17 70.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.904 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.92 -43.91 60.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.822 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.83 84.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.79 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.96 -38.26 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.796 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.01 -32.93 73.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.92 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.5 -49.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.036 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -33.46 52.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 1.0 109.944 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.5 mt -66.65 -33.96 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.129 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.37 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.265 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.7 mt -54.3 -57.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.257 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.554 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -63.35 -48.38 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.277 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -60.6 -47.18 87.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.259 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.84 -34.2 77.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.355 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -50.87 -38.76 51.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 53.8 mt -48.19 -32.94 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.439 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 78.7 p -51.33 -59.57 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.455 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.523 179.802 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.644 ' NA ' ' NE2' ' A' ' 139' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -54.25 -32.24 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.69 -49.79 15.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.7 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.37 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.659 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.493 ' C ' ' HG1' ' A' ' 38' ' ' THR . 89.8 mt -56.47 -32.48 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.67 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -64.06 -40.95 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.82 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.52 -26.84 58.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.751 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.493 ' HG1' ' C ' ' A' ' 35' ' ' LEU . 74.4 p -68.4 -36.75 79.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.66 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.3 p -71.32 -26.62 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.702 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.13 -40.09 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.659 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.94 -53.13 9.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.732 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 43' ' ' ARG . 11.3 p -52.62 -47.83 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.75 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.4 ttt-85 -53.83 -44.89 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.26 -41.66 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.612 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -65.83 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.57 -12.85 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.491 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.9 27.28 4.79 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 13.2 p -76.2 144.17 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 1.0 110.629 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -45.04 -45.84 11.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.648 ' HE ' ' CE1' ' A' ' 169' ' ' HIS . 11.1 ptt180 -147.33 145.53 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.874 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 30.0 t -144.78 133.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.977 175.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HZ2' ' CD1' ' A' ' 77' ' ' LEU . 40.7 mttt -136.03 149.22 48.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 111.189 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.504 ' CG1' ' NH2' ' A' ' 55' ' ' ARG . 51.3 t -100.18 137.61 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.911 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.477 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 27.7 t80 -117.72 114.34 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.397 . . . . 1.0 111.226 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' NH2' ' CG1' ' A' ' 53' ' ' VAL . 6.5 mmp_? -94.65 137.89 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.93 140.31 36.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 1.0 110.929 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' HIS . 35.8 m-20 -99.85 151.53 37.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.532 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.77 -20.21 16.67 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.842 2.362 . . . . 1.0 112.068 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.47 1.96 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 -15.93 61.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 57' ' ' ASP . 33.8 m80 -75.36 146.69 40.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 1.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.84 156.07 21.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 157.67 45.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 1.0 110.563 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.46 108.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.21 -2.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.438 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.58 125.71 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -157.32 138.41 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.461 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.75 143.78 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.657 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -124.96 140.84 52.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.58 141.7 15.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.629 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.41 44.15 3.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 71' ' ' GLY . 18.0 pt-20 32.63 29.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 1.0 110.61 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.1 tpp85 -66.71 -44.12 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 HD13 HH11 ' A' ' 50' ' ' ARG . 25.7 mt -117.22 146.36 38.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.41 166.41 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.792 2.328 . . . . 1.0 111.973 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -97.7 126.8 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.727 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.488 ' CD1' ' HZ2' ' A' ' 52' ' ' LYS . 17.7 mt -96.28 11.75 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.75 134.63 57.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.489 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -10.35 70.5 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 65.1 mt -83.93 145.09 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 1.0 110.52 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 p -107.41 139.06 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.392 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -108.16 141.28 22.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.424 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -72.19 137.02 27.95 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.754 2.303 . . . . 1.0 112.154 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -62.89 -35.79 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.804 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.17 -17.26 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 84' ' ' ALA . 92.6 m-20 -70.11 -27.22 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.0 110.511 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.7 mm -113.69 101.46 53.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.4 Cg_exo -44.77 -116.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.894 2.396 . . . . 1.0 112.092 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -156.11 -54.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -46.87 -43.36 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.5 -46.51 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.764 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -54.39 -34.0 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.64 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -64.21 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.541 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.48 ' CD1' HH21 ' A' ' 133' ' ' ARG . 27.9 mt -60.91 -35.51 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 -177.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 32.2 m-85 -68.52 -30.81 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.658 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.535 ' C ' HE21 ' A' ' 99' ' ' GLN . 48.7 ttp180 -91.94 -21.66 20.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.793 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 75.9 mt -92.0 -49.42 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.222 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.23 -12.4 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.251 -173.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 13.8 mp0 43.52 57.66 3.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.844 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.5 m -157.96 124.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.409 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 101' ' ' ARG . 1.1 tpm_? -165.16 128.51 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.49 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.38 151.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.575 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.2 mt -113.94 129.41 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.482 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 7.6 t -87.57 174.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.437 -176.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.482 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 29.9 m-20 -50.79 117.77 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.576 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 25.5 t -50.71 -14.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.53 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.498 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.2 tt0 -67.12 -40.85 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.393 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.41 1.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.483 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' ' 107' ' ' GLU . 14.0 pt20 37.44 70.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 p -89.67 123.5 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.256 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -111.52 140.38 46.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.997 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.456 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.2 OUTLIER -122.38 157.57 31.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.864 178.11 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' A' ' 112' ' ' SER . 23.7 pt -156.98 163.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.924 0.392 . . . . 1.0 111.033 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.508 ' HG ' ' N ' ' A' ' 115' ' ' GLN . 29.5 t -74.45 169.79 17.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.384 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.508 ' N ' ' HG ' ' A' ' 114' ' ' SER . 9.6 tt0 -173.33 66.8 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.638 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLN . 3.9 Cg_exo -32.78 148.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.786 2.324 . . . . 1.0 112.048 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 53.98 93.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.504 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.8 p -149.12 177.55 9.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.528 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -61.41 150.34 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.537 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 156.12 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 8.9 mp -54.63 -57.55 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.6 t -169.21 175.22 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.473 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.91 -3.48 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.554 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.6 mmp_? -58.05 -22.11 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.629 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.64 128.42 32.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.583 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.44 153.7 31.08 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.76 2.306 . . . . 1.0 112.099 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 66.3 mt 57.56 -104.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.547 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.66 -23.83 30.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -130.88 159.17 72.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 1.0 110.527 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.561 ' C ' ' H ' ' A' ' 132' ' ' GLN . 83.1 Cg_exo -46.81 166.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.906 2.404 . . . . 1.0 112.233 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.82 5.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.561 ' H ' ' C ' ' A' ' 130' ' ' PRO . 24.3 mm-40 -138.55 159.39 42.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.498 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.48 HH21 ' CD1' ' A' ' 94' ' ' LEU . 22.2 tpt85 -135.65 88.02 24.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.551 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.454 ' O ' ' OG ' ' A' ' 112' ' ' SER . 76.4 Cg_exo -48.65 141.61 20.05 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.018 2.479 . . . . 1.0 112.266 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.8 m -115.63 130.68 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.396 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -41.48 154.67 0.23 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.797 178.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.49 -12.32 10.69 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.985 2.456 . . . . 1.0 111.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.904 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.9 OUTLIER -68.56 -40.09 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.64 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -84.0 -27.99 28.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.079 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -55.61 -64.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.249 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -56.73 -41.7 77.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.409 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 146' ' ' MET . 76.3 t80 -49.23 -46.6 46.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.3 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.82 -48.89 43.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -56.94 -45.52 82.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -64.17 -18.0 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.569 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 19.1 mmm -97.11 -2.58 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.86 22.74 65.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.454 ' CG2' ' NH1' ' A' ' 50' ' ' ARG . 74.1 t -107.41 139.69 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.664 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.08 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.171 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.4 t -135.27 123.1 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.063 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.462 ' HG ' ' CD2' ' A' ' 169' ' ' HIS . 25.2 t -132.3 141.01 48.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.972 0.415 . . . . 1.0 110.984 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.8 tp -100.37 135.77 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.045 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 48.6 t -113.47 126.36 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 1.0 110.98 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 t -129.65 113.85 17.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.981 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.3 152.02 43.98 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.891 2.394 . . . . 1.0 112.849 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 42.7 mt -116.74 110.6 18.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.079 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.522 ' N ' ' OG ' ' A' ' 192' ' ' SER . 11.1 ptm -135.67 153.91 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 1.0 110.704 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.471 ' ND1' ' CB ' ' A' ' 196' ' ' ALA . 80.0 t60 -122.42 122.39 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.515 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.467 ' C ' ' NE2' ' A' ' 160' ' ' GLN . 6.4 m-70 59.38 -102.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.525 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.467 ' NE2' ' C ' ' A' ' 159' ' ' HIS . 11.6 mp0 -116.74 -7.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.485 -177.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.83 148.78 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.626 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.67 124.87 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.437 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -101.48 -42.87 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.683 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.45 -175.89 33.95 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.153 -0.779 . . . . 1.0 111.153 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.5 143.43 35.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.814 0.34 . . . . 1.0 110.707 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.3 tp -107.59 153.4 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.15 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.53 138.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 1.0 111.017 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.458 ' O ' ' OG ' ' A' ' 151' ' ' SER . 41.7 m -120.49 140.63 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.136 178.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.648 ' CE1' ' HE ' ' A' ' 50' ' ' ARG . 8.0 m80 -118.25 137.72 52.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.012 -178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.505 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.3 t-80 -131.11 132.4 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.39 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.505 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -62.14 -23.47 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.64 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.09 151.44 49.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.556 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.43 -72.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.882 2.388 . . . . 1.0 112.209 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.73 ' HE ' ' H ' ' A' ' 174' ' ' ARG . 0.0 OUTLIER 47.8 75.83 0.62 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.97 172.67 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.796 2.33 . . . . 1.0 112.274 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -118.39 139.6 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.429 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 11.3 m -84.0 151.74 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.64 -28.37 68.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.455 ' OE2' ' CG1' ' A' ' 183' ' ' VAL . 5.7 tm-20 -85.22 -53.03 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.463 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.38 -25.85 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.394 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.56 -38.26 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.363 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -70.82 -57.57 4.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.244 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . 0.455 ' CG1' ' OE2' ' A' ' 179' ' ' GLU . 19.3 m -47.73 -36.17 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.142 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 29.4 t -73.27 -53.14 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.138 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -45.97 -35.52 4.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.97 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.09 -39.3 72.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.925 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 8.5 tp -53.66 -46.48 70.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.833 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.848 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -56.53 -33.9 66.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 1.0 109.738 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -73.27 -28.39 62.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.809 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 -50.25 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.054 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.4 t -51.66 -27.97 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.949 177.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 47.1 mt -75.96 -31.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.105 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.33 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.285 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 196' ' ' ALA . 21.6 pt -68.97 -27.64 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.24 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.471 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -74.89 -53.68 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.202 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.4 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 1.8 pt20 -67.3 -36.98 82.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.305 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.429 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.57 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.305 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -52.62 -41.35 63.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.489 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 47.8 mt -47.95 -29.14 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 96.6 p -54.98 -58.64 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.44 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.542 179.554 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.904 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.76 0.314 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -48.97 -34.21 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.593 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.24 -49.79 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mm -58.84 -46.24 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.611 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' ' OG1' ' A' ' 38' ' ' THR . 39.9 mt -57.65 -32.44 67.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.615 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -64.77 -40.79 95.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.795 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -26.03 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.71 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.521 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 69.2 p -69.38 -36.4 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.673 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.1 p -72.33 -24.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.699 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -74.67 -47.72 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.737 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -70.38 -43.07 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.73 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.4 t -53.27 -55.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.728 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' A' ' 47' ' ' GLY . 65.4 ttt-85 -49.0 -42.06 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.717 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.1 -45.38 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.648 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.44 -39.07 93.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.55 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.7 -12.0 28.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.541 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.36 25.76 3.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.519 ' HG1' ' CG2' ' A' ' 51' ' ' VAL . 17.5 p -76.55 145.72 38.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 1.0 110.552 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -42.35 -48.41 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.453 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.436 HH21 ' CG2' ' A' ' 148' ' ' VAL . 26.0 ptt180 -151.0 145.55 25.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.859 -177.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.519 ' CG2' ' HG1' ' A' ' 48' ' ' THR . 12.3 t -142.27 135.16 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.964 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -136.17 149.86 48.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 1.0 111.192 -176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.2 t -100.69 137.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.846 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.4 t80 -117.63 118.68 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 1.0 111.227 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -103.47 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.009 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.612 ' CG ' ' NH2' ' A' ' 92' ' ' ARG . 19.5 m-85 -102.58 146.82 27.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 1.0 110.869 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.0 m-20 -102.03 150.84 37.81 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.65 -22.44 1.82 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.784 2.323 . . . . 1.0 112.132 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -98.03 0.47 46.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.526 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.39 -14.08 61.09 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.597 ' O ' ' N ' ' A' ' 57' ' ' ASP . 21.0 m80 -71.98 144.01 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 1.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.86 152.69 19.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 p -133.94 157.2 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 1.0 110.541 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -89.79 108.0 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -104.52 -4.02 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.03 124.92 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.601 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' OE1' ' OG ' ' A' ' 76' ' ' SER . 4.1 tm-20 -156.76 139.55 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.452 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.2 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.607 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -122.48 140.83 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.584 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.08 140.91 15.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.98 34.93 0.6 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 42.45 18.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.616 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.0 tpm_? -53.67 -44.27 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.594 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.93 149.1 48.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.593 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.18 166.29 23.71 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.839 2.359 . . . . 1.0 112.059 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.432 ' OG ' ' OE1' ' A' ' 67' ' ' GLU . 26.0 t -99.09 131.67 44.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.629 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.3 mt -98.86 14.79 27.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.0 134.99 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 -177.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.54 -10.71 66.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.1 mt -83.76 148.71 26.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 1.0 110.526 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 p -107.95 136.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.74 139.26 19.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.463 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -71.49 139.3 34.18 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.815 2.343 . . . . 1.0 112.092 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.774 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.04 -19.22 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.56 -9.84 55.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 1.0 110.561 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.9 mt -136.96 132.14 18.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.615 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.46 -102.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.882 2.388 . . . . 1.0 112.097 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -170.47 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -50.58 -46.05 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.707 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.17 76.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.612 ' NH2' ' CG ' ' A' ' 56' ' ' PHE . 76.7 ttt180 -64.72 -32.35 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.637 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 97' ' ' LEU . 65.4 mtp85 -63.96 -38.58 91.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.539 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.7 mt -58.57 -36.45 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.547 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 66.2 m-85 -68.47 -28.54 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.724 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -95.05 -23.3 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 65.0 mt -91.22 -49.26 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.149 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.5 -10.53 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.163 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 7.0 mp0 41.59 58.37 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.807 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -160.63 122.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.36 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.611 HH22 ' CG1' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -169.11 129.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 152.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.596 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.611 ' CG1' HH22 ' A' ' 101' ' ' ARG . 5.4 mt -108.69 128.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.571 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.412 ' CG2' ' H ' ' A' ' 105' ' ' ASP . 5.5 p -85.25 172.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.471 -177.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.412 ' H ' ' CG2' ' A' ' 104' ' ' VAL . 56.8 m-20 -51.69 117.76 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.2 p -51.03 -18.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.605 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -72.67 -37.73 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -14.6 8.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.524 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 53.74 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.729 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.7 m -93.95 124.18 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.28 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.7 ptt-85 -111.4 138.35 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.968 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.533 ' OG ' ' C ' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -124.59 156.64 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.871 178.049 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 114' ' ' SER . 36.7 mt -154.77 160.92 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.966 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.42 ' N ' ' CG2' ' A' ' 113' ' ' ILE . 72.6 p -74.82 173.69 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.376 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -144.48 80.44 11.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.621 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -77.82 82.21 2.48 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.872 2.382 . . . . 1.0 112.068 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 119' ' ' TRP . 96.0 mt-10 -140.96 115.48 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.497 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 119' ' ' TRP . 1.8 t 71.47 -29.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.58 ' H ' ' C ' ' A' ' 117' ' ' GLU . 64.2 t90 50.29 176.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.56 ' N ' ' CD2' ' A' ' 119' ' ' TRP . . . 96.64 -12.68 66.02 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.854 -0.899 . . . . 1.0 110.854 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -95.59 55.29 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 1.0 110.569 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.5 m -55.9 -41.72 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 124' ' ' ARG . . . -63.52 -20.87 65.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.571 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.593 ' HE ' ' CA ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER 79.32 -154.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.573 -179.623 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.2 t -96.39 130.19 31.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.57 138.6 21.9 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.81 2.34 . . . . 1.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.0 mt 56.39 -163.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.562 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.18 91.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -114.3 97.42 45.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.398 . . . . 1.0 110.596 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.515 ' C ' ' H ' ' A' ' 132' ' ' GLN . 73.5 Cg_exo -48.4 160.53 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.952 2.435 . . . . 1.0 112.209 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 68.1 mt -50.01 -11.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.515 ' H ' ' C ' ' A' ' 130' ' ' PRO . 6.6 mm100 -131.72 133.27 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -109.8 124.49 33.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.531 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.533 ' C ' ' OG ' ' A' ' 112' ' ' SER . 71.7 Cg_endo -76.98 139.75 19.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.02 2.48 . . . . 1.0 112.317 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' A' ' 112' ' ' SER . 2.3 m -120.58 132.01 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.443 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.2 OUTLIER -37.29 152.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.711 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.03 -33.58 95.31 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.96 2.44 . . . . 1.0 111.816 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -61.84 -31.14 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.535 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.655 ' CD2' ' ND ' ' A' ' 301' ' ' CYC . 14.2 t-80 -87.49 -31.0 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.115 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 95.0 t -61.42 -47.43 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.231 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.42 ' CE1' ' OG ' ' A' ' 145' ' ' SER . 43.2 t-80 -65.47 -45.94 81.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -45.87 -38.44 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.305 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.01 -40.95 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.466 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -57.77 -45.32 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.532 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 34.4 m -63.28 -16.4 60.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.4 mmm -96.17 -0.19 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.473 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.57 19.69 77.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.436 ' CG2' HH21 ' A' ' 50' ' ' ARG . 96.7 t -104.34 140.08 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 1.0 110.678 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.49 -53.24 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.16 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.2 t -130.86 116.63 18.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.061 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 168' ' ' SER . 26.4 t -130.8 142.98 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 1.0 110.921 -178.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.3 tp -101.56 132.7 47.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.076 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.87 129.26 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 1.0 111.039 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 t -133.29 121.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.995 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.57 150.62 24.85 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.92 2.413 . . . . 1.0 112.81 -175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.3 108.27 17.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.058 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.5 ptm -136.81 162.92 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 1.0 110.684 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.533 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 77.9 t60 -145.84 121.89 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 58.0 t60 79.05 -114.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.487 -177.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -118.01 -3.01 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.467 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.29 159.6 16.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.604 -176.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 29.6 tp -107.28 129.5 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.461 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -100.05 -44.01 6.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.93 -176.22 30.73 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -138.84 133.92 32.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 1.0 110.73 -179.271 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.7 tp -104.51 153.82 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.205 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.5 p -163.44 139.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 1.0 111.024 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.469 ' O ' ' OG ' ' A' ' 151' ' ' SER . 25.9 p -117.15 135.62 53.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.2 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -112.52 135.41 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 1.0 110.984 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -127.99 135.66 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.37 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.463 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -89.2 30.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.647 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 9.9 mp0 -154.29 135.03 8.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.5 111.87 3.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.795 2.33 . . . . 1.0 112.223 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -147.82 142.59 16.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.37 150.73 37.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.85 2.367 . . . . 1.0 112.146 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -104.69 155.09 19.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.442 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.9 t -90.8 150.5 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.617 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.95 -29.75 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.422 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -77.45 -47.24 20.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.455 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.9 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.331 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -70.3 -53.71 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.195 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 60.1 t -43.61 -43.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.05 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.49 -50.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -49.35 -38.11 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.935 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.42 -44.24 62.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.93 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 2.5 tt -51.35 -45.88 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.849 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.761 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.94 -35.96 76.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.737 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.26 -29.09 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.889 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.36 -48.95 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.064 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.6 p -54.02 -32.96 55.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.012 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.61 -33.05 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.077 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.65 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.301 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.9 mt -55.22 -55.29 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.533 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -64.34 -48.23 76.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.273 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.0 -46.91 88.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.268 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.443 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.45 -33.69 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.336 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -51.48 -40.08 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.426 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 36.4 mt -47.78 -30.9 4.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.445 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 78.9 p -51.2 -59.27 4.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.48 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.549 179.627 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.658 ' H3C' HMD1 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.8 p-10 -53.29 -31.52 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.582 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.8 tp-100 -77.45 -47.14 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 34' ' ' ILE . 22.1 mm -58.38 -49.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' O ' ' OG1' ' A' ' 38' ' ' THR . 81.4 mt -59.18 -33.77 71.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.654 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' O ' HG12 ' A' ' 39' ' ' VAL . 52.9 mtp85 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.769 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -26.26 60.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.733 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.563 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 43.5 p -68.37 -33.87 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.666 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.9 p -71.27 -28.32 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.693 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -79.47 -43.52 23.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.658 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.69 -53.1 30.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.694 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 43' ' ' ARG . 7.1 p -51.93 -45.73 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.77 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.745 ' O ' ' N ' ' A' ' 47' ' ' GLY . 63.4 ttt180 -47.75 -43.69 27.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.744 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.39 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.517 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 mt -95.44 -11.29 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.47 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.745 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.22 27.27 1.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 p -75.98 142.89 41.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.827 0.346 . . . . 1.0 110.607 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 94.2 m-20 -50.87 -40.83 57.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.452 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.739 HH22 ' HE ' ' A' ' 73' ' ' ARG . 5.7 mtt-85 -146.21 137.76 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.914 -176.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 7.8 p -145.91 132.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.962 175.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -134.76 148.53 50.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 1.0 111.163 -176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.2 t -102.11 139.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.861 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.51 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.3 t80 -121.98 122.95 40.51 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.716 -0.393 . . . . 1.0 111.209 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -102.92 142.05 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.987 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.638 ' CZ ' ' NH1' ' A' ' 92' ' ' ARG . 16.1 m-85 -103.31 144.59 31.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 1.0 110.946 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.1 m-20 -102.05 148.95 36.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.41 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.29 -21.2 1.78 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -95.15 2.29 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.634 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.88 62.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.595 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.4 m80 -75.48 147.29 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 1.0 110.615 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.24 158.04 23.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -134.31 157.98 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 1.0 110.577 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.523 HG13 ' H ' ' A' ' 79' ' ' GLY . 10.0 p -92.86 109.65 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.636 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.27 -0.1 10.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.397 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.74 124.95 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.596 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 72.1 tt0 -152.96 138.01 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.461 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.25 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.642 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -127.46 144.3 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.643 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.6 148.11 16.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.92 30.62 0.38 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 43.09 16.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.578 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.739 ' HE ' HH22 ' A' ' 50' ' ' ARG . 18.3 ttp180 -52.23 -37.93 56.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.591 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.4 tp -116.23 131.91 23.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.54 145.64 97.45 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.779 2.32 . . . . 1.0 112.039 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.1 p -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.639 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.532 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 mt -96.67 6.05 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.519 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.535 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.8 tp -57.6 136.96 56.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.523 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -7.65 81.33 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.66 141.59 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 1.0 110.529 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -103.3 136.41 43.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.57 137.77 19.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.497 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.64 144.73 40.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.74 2.293 . . . . 1.0 112.145 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.33 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.813 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.92 -17.23 1.46 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -145.88 100.58 4.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.606 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.458 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 95.1 Cg_exo -41.74 -93.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.899 2.399 . . . . 1.0 112.074 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.8 tt0 -173.41 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.556 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -52.96 -45.07 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.65 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.04 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.791 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.638 ' NH1' ' CZ ' ' A' ' 56' ' ' PHE . 33.7 mtp85 -65.89 -32.9 74.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.686 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -63.49 -39.19 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' ALA . 12.7 mt -57.21 -36.09 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.636 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.53 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 70.2 m-85 -70.01 -28.88 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.648 ' C ' HE22 ' A' ' 99' ' ' GLN . 64.0 mtp180 -84.44 -24.87 29.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.862 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.793 ' N ' HE22 ' A' ' 99' ' ' GLN . 66.7 mt -106.47 -45.11 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.15 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -94.89 -24.88 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.205 -173.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.868 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 41.92 55.41 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.829 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.565 ' O ' ' NE ' ' A' ' 101' ' ' ARG . 7.7 p -167.97 127.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.357 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.58 ' CZ ' ' NH1' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -170.31 132.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.462 177.536 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -147.41 153.65 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.629 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -108.94 128.69 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.5 p -84.45 173.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.47 -177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -51.15 117.6 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.3 p -50.63 -18.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.533 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -69.79 -38.62 76.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.425 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.54 -13.56 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.584 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 52.36 69.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -95.99 123.3 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.271 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -111.59 142.11 44.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.448 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 0.3 OUTLIER -126.84 160.44 30.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.855 178.076 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 112' ' ' SER . 17.9 pt -158.55 164.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.922 0.391 . . . . 1.0 111.074 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -77.69 174.32 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.457 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -132.14 73.94 77.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -49.1 153.24 4.31 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.77 2.313 . . . . 1.0 112.098 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 48.38 66.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.2 t -155.49 145.48 21.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -55.17 -28.07 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.512 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 99.36 0.28 56.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 120' ' ' GLY . 6.1 tp 47.02 100.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 1.0 110.581 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -55.21 143.57 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.523 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.482 ' C ' ' N ' ' A' ' 125' ' ' VAL . . . -79.25 -10.5 59.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.567 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -46.05 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.482 ' N ' ' C ' ' A' ' 123' ' ' ALA . 1.5 m -103.79 155.86 36.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.55 168.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.764 2.309 . . . . 1.0 112.156 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.526 ' CD1' ' H ' ' A' ' 127' ' ' LEU . 9.0 mp -42.72 -51.44 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.16 36.92 93.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -145.2 157.48 53.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.684 ' C ' ' H ' ' A' ' 132' ' ' GLN . 13.6 Cg_endo -53.88 169.7 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.012 2.475 . . . . 1.0 112.167 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.409 ' O ' ' NE2' ' A' ' 132' ' ' GLN . 8.1 mp -62.12 13.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.548 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.684 ' H ' ' C ' ' A' ' 130' ' ' PRO . 60.7 mm-40 -139.49 160.95 38.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.48 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.58 ' NH1' ' CZ ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -130.82 83.89 60.1 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.549 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.9 142.08 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.923 2.415 . . . . 1.0 112.279 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.9 m -120.37 131.97 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.437 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.528 ' OD2' ' SG ' ' A' ' 138' ' ' CYS . 30.3 p-10 -39.95 137.76 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.745 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -42.42 -33.56 2.7 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.98 2.454 . . . . 1.0 111.727 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.711 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.3 OUTLIER -60.99 -35.19 76.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.658 -178.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.473 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 26.4 t-80 -84.05 -30.09 26.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.153 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 46.6 t -57.78 -55.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.217 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -60.55 -44.0 96.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.358 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -44.97 -42.81 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.283 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.17 -42.57 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.386 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -57.16 -44.64 83.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.496 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -64.61 -16.66 63.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.535 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 38.9 mmm -96.68 -1.85 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.498 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.34 21.26 70.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 39.1 t -110.56 142.82 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.72 -47.39 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.9 p -131.75 117.47 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.083 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 36.2 p -131.41 144.38 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.007 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -102.95 134.44 46.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 19.8 t -110.92 128.85 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.003 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.3 117.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.967 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.02 150.93 30.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 1.0 112.796 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -113.78 108.48 17.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.145 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 ptm -136.56 157.2 47.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 1.0 110.643 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 43.1 t-80 -139.02 121.79 16.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.487 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.1 t60 78.11 -114.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.559 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -117.49 -2.41 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.498 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -107.89 158.97 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.607 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 30.2 tp -106.41 130.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -100.26 -44.59 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.688 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.77 -176.36 30.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -139.01 134.6 33.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 1.0 110.671 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.6 tp -104.18 153.69 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.206 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.1 p -161.6 137.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 1.0 111.049 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.3 p -115.98 138.94 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.129 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -108.88 130.27 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.006 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.433 ' CE1' ' HE ' ' A' ' 174' ' ' ARG . 0.5 OUTLIER -124.9 127.72 47.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.388 177.557 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -90.22 29.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.687 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 27.9 mt-10 -158.58 150.33 17.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.34 84.28 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.767 2.311 . . . . 1.0 112.214 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.433 ' HE ' ' CE1' ' A' ' 170' ' ' HIS . 57.9 ttm-85 -118.72 91.58 42.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 1.0 110.394 -179.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.34 162.21 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 1.0 112.218 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -105.66 142.71 34.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.452 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 178' ' ' GLN . 30.4 t -89.53 153.41 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.689 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . 0.408 ' N ' ' HG ' ' A' ' 177' ' ' SER . 59.8 tt0 -57.35 -34.79 69.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.33 -54.95 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.459 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.71 -31.74 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.413 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.01 -56.89 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.286 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -62.13 -48.56 79.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.158 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.51 -50.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.067 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.85 -52.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.091 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.42 -38.38 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.0 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 6.2 tt -74.0 -46.16 45.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.96 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.8 tp -51.45 -45.02 62.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.778 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.69 84.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.762 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -59.34 -37.65 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.694 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.31 -31.94 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.867 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.53 -49.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.035 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.0 p -52.95 -31.35 39.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.938 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.63 -33.93 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.124 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.57 83.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.85 -48.49 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.205 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.469 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -65.55 -48.86 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.26 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.32 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.231 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.7 74.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.29 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -53.92 -43.93 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.398 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 45.4 mt -48.73 -35.29 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -53.18 -59.82 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.534 179.59 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.711 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -48.45 -34.42 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.665 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 26.3 mp0 -76.55 -49.78 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.695 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.67 -42.74 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.63 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.513 ' O ' HG22 ' A' ' 38' ' ' THR . 28.3 mt -61.36 -31.65 71.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.581 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.558 ' O ' HG13 ' A' ' 39' ' ' VAL . 67.8 ttp85 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.761 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.65 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.692 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 35' ' ' LEU . 1.5 t -72.12 -32.68 67.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 36' ' ' ARG . 5.4 p -70.01 -22.93 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.13 -42.64 59.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.87 -39.86 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.7 -54.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.732 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.722 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.4 ttt-85 -49.6 -42.65 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.749 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.24 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.651 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.01 -41.34 97.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.54 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -94.79 -11.76 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.45 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.722 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.05 25.6 2.6 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.51 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 12.3 t -76.09 145.42 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 1.0 110.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -41.27 -49.01 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.491 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 HH22 ' CE ' ' A' ' 146' ' ' MET . 39.7 ptt180 -151.68 147.0 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.909 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.0 p -144.94 134.15 18.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 176.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.717 ' NZ ' HBB1 ' A' ' 301' ' ' CYC . 23.2 pttt -137.01 151.62 49.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 1.0 111.172 -175.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.5 t -100.24 138.3 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.867 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 15.9 t80 -121.91 121.9 38.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 1.0 111.186 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -102.66 142.8 33.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.047 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.06 140.69 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 1.0 110.897 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.1 m-20 -100.26 151.1 37.44 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.495 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -42.14 -44.11 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.757 2.304 . . . . 1.0 112.11 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.2 -9.32 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.558 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 105.81 -8.87 43.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 18.1 m80 -74.46 145.99 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 1.0 110.632 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -131.28 155.03 21.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.9 p -134.63 157.49 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.02 109.12 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.672 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 t -105.09 -2.25 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.41 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.68 130.4 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.571 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' OE1' ' OG ' ' A' ' 76' ' ' SER . 12.3 tm-20 -164.14 141.18 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.399 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.18 148.15 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.646 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -135.77 146.17 47.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.626 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.87 149.05 16.72 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 42.58 31.57 1.09 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 42.29 17.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.661 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.1 ttm180 -57.87 -41.88 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.1 mt -116.66 117.91 37.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.593 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.36 168.15 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.774 2.316 . . . . 1.0 112.077 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 78' ' ' LEU . 35.0 t -98.94 123.32 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.643 -178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.7 mt -94.16 10.38 34.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' H ' ' HG ' ' A' ' 76' ' ' SER . 22.2 tp -57.46 133.78 55.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.467 -178.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.66 -12.01 66.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 72.9 mt -82.52 143.33 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 1.0 110.5 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.1 p -111.82 148.55 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.459 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 20.9 m-85 -118.27 148.13 43.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.5 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 40.6 Cg_endo -74.22 138.65 25.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.689 2.259 . . . . 1.0 112.124 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.756 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.73 -17.45 2.13 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 24.7 p-10 -73.35 -9.63 58.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 1.0 110.556 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.52 ' O ' ' O ' ' A' ' 88' ' ' PRO . 96.7 mt -134.82 94.57 16.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.581 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.1 Cg_exo -39.88 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.852 2.368 . . . . 1.0 112.122 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.459 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.3 tt0 -164.99 -50.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.631 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.5 pt-20 -46.82 -43.2 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.694 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -72.22 -41.76 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.774 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -59.85 -32.66 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.695 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -64.27 -35.51 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.94 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.584 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.641 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 67.9 m-85 -69.02 -35.93 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.715 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.603 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 42.1 ttp180 -87.48 -19.38 28.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' N ' HE22 ' A' ' 99' ' ' GLN . 58.2 mt -96.13 -50.22 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.206 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.11 -14.7 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.183 -172.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.754 ' NE2' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.63 56.56 5.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.81 -179.262 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 99' ' ' GLN . 9.1 m -159.75 124.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.355 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.578 HH22 HBD1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -171.62 127.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 177.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.47 153.78 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.636 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.29 129.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.618 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.482 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 16.7 t -86.39 173.61 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.393 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.482 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 56.4 m-20 -48.99 117.54 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.532 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 34.9 t -51.41 -12.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.617 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.449 ' H ' ' C ' ' A' ' 105' ' ' ASP . 43.1 tp10 -76.75 -34.67 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.494 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.27 -13.83 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.527 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.69 ' NE2' HH21 ' A' ' 111' ' ' ARG . 50.4 tt0 52.64 69.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 p -89.51 123.73 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.248 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.69 HH21 ' NE2' ' A' ' 109' ' ' GLN . 53.7 mtt85 -109.04 134.39 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 1.0 110.929 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -128.81 108.52 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.913 178.263 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 114' ' ' SER . 71.5 mt -112.71 169.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.982 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.504 ' N ' ' CG2' ' A' ' 113' ' ' ILE . 54.6 p -74.32 166.92 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.379 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.77 96.95 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -82.12 67.11 8.23 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.831 2.354 . . . . 1.0 112.081 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 119' ' ' TRP . 85.2 tt0 -148.56 130.42 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 119' ' ' TRP . 32.3 t 43.97 -90.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.552 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 117' ' ' GLU . 69.7 t-105 45.53 98.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -80.4 -179.54 52.78 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.463 ' CG ' ' H ' ' A' ' 122' ' ' SER . 5.8 tp -158.37 -127.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.463 ' H ' ' CG ' ' A' ' 121' ' ' LEU . 7.6 t 60.42 136.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.539 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.55 -5.0 40.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -67.25 -21.37 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.1 96.22 44.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.621 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 128' ' ' GLY . 42.1 Cg_exo -56.9 160.4 12.43 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.764 2.309 . . . . 1.0 112.109 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 127' ' ' LEU . 9.6 mp 40.95 -98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 93.46 -2.92 71.32 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.506 ' CD ' HH11 ' A' ' 133' ' ' ARG . 0.2 OUTLIER -138.27 170.93 9.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 1.0 110.73 -179.841 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.653 ' C ' ' H ' ' A' ' 132' ' ' GLN . 75.1 Cg_exo -48.22 168.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.962 2.441 . . . . 1.0 112.273 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.4 15.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.518 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.653 ' H ' ' C ' ' A' ' 130' ' ' PRO . 47.8 mm-40 -139.95 157.41 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.495 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.506 HH11 ' CD ' ' A' ' 129' ' ' GLU . 15.7 mmm180 -127.86 113.07 20.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.15 141.35 16.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.896 2.398 . . . . 1.0 112.278 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.65 135.57 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.523 ' OD1' HMD2 ' A' ' 301' ' ' CYC . 1.4 m-20 -40.81 140.39 1.07 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.15 -18.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.922 2.415 . . . . 1.0 111.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.865 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.7 OUTLIER -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.626 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -79.74 -31.13 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.089 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.99 -63.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -58.99 -41.92 88.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -46.13 -41.67 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.287 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.77 -44.8 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.426 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.527 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.8 p -65.84 -17.79 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.586 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.471 ' CE ' HH22 ' A' ' 50' ' ' ARG . 16.5 mmm -95.49 -1.08 51.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.462 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.46 20.26 72.2 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 41.2 t -109.67 143.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.862 0.363 . . . . 1.0 110.631 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.5 -47.09 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.168 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.5 p -131.08 120.2 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.081 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.0 p -131.69 143.32 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 111.048 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.49 136.47 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.08 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.3 127.3 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 1.0 111.039 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 166' ' ' LEU . 8.2 t -132.68 120.79 16.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.999 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -78.62 150.81 24.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.965 2.443 . . . . 1.0 112.75 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.0 mt -113.95 110.0 19.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.13 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 ptm -135.08 160.87 36.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 1.0 110.713 -175.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.553 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 40.1 t-80 -131.97 122.51 25.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.485 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 0.5 OUTLIER 62.42 -104.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 13.9 pt20 -116.8 -6.86 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.491 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -101.5 150.46 23.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.588 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.89 125.23 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.45 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -99.29 -42.38 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.635 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.3 -177.27 34.25 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.151 -0.78 . . . . 1.0 111.151 -176.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' TYR . 55.3 mt -135.99 137.81 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.662 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 154' ' ' VAL . 4.8 tp -105.08 151.18 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.195 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.5 p -158.81 135.16 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 1.0 111.05 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.0 p -117.47 135.9 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.172 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.51 ' O ' ' OG1' ' A' ' 48' ' ' THR . 74.3 m-70 -116.51 134.98 54.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.022 -178.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' A' ' 172' ' ' GLU . 3.8 t60 -130.85 136.81 48.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.428 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -84.36 36.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.648 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' A' ' 170' ' ' HIS . 9.8 mp0 -158.28 152.78 20.5 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.486 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.539 ' O ' ' O ' ' A' ' 174' ' ' ARG . 39.8 Cg_endo -67.66 -97.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.859 2.373 . . . . 1.0 112.161 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.539 ' O ' ' O ' ' A' ' 173' ' ' PRO . 9.5 tpt180 55.25 122.8 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.367 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.07 166.88 25.95 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.875 2.384 . . . . 1.0 112.221 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -107.67 147.84 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.5 m -90.41 152.78 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.584 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.06 -29.81 70.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.377 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -79.98 -55.13 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.436 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.37 -37.35 80.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.445 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.83 -45.74 82.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.232 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.62 -50.28 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.275 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 53.1 t -44.19 -44.99 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.142 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.34 -49.94 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.204 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.27 -33.85 9.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.96 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -44.31 63.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.889 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.89 -44.4 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.83 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.14 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.783 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -61.53 -36.94 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.786 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.54 -29.3 67.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.854 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.28 -48.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.041 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 p -54.7 -32.29 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.97 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 37.2 mt -69.03 -33.58 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.1 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.29 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.299 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 10.7 mt -55.86 -49.37 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.224 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.553 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -66.62 -49.73 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.23 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.72 -47.5 86.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.21 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.83 76.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.306 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -52.29 -42.16 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.457 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.0 tp -48.47 -36.1 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.457 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.4 m -50.18 -60.21 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.064 -0.97 . . . . 1.0 110.549 179.721 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.865 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.72 -32.88 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.13 -50.81 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.66 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.3 mt -56.66 -49.38 78.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.631 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' O ' ' OG1' ' A' ' 38' ' ' THR . 54.9 mt -56.14 -31.83 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.595 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.4 ttt180 -63.92 -41.01 97.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.833 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.77 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 74.8 p -67.99 -36.27 79.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.664 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 1.8 p -70.71 -24.87 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.698 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.04 -35.01 64.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.731 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.49 -37.82 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.674 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.4 t -58.98 -56.52 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.753 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.775 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ptm180 -51.61 -42.92 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.539 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.9 mt -93.75 -13.75 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.576 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.78 25.41 15.36 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.6 p -74.79 142.34 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 1.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.1 m-20 -43.35 -47.98 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.52 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.541 HH22 ' CE ' ' A' ' 146' ' ' MET . 30.8 ptt180 -150.89 145.77 25.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 1.0 110.871 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 8.0 p -150.57 137.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.917 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.678 ' HZ1' ' CE1' ' A' ' 169' ' ' HIS . 12.2 pttm -138.93 155.21 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 1.0 111.162 -177.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.33 138.4 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.822 176.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.459 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.5 t80 -124.16 126.64 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 1.0 111.229 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -107.14 146.18 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.99 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.26 140.86 36.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 1.0 110.867 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.2 m-20 -100.42 152.17 37.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.503 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -40.82 -46.48 4.85 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.841 2.361 . . . . 1.0 112.088 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -71.64 -13.14 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 108.41 -6.25 33.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 57' ' ' ASP . 56.5 m80 -74.33 144.65 44.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 1.0 110.512 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -129.5 152.88 19.69 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -133.64 156.71 47.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.89 111.06 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.65 -0.46 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.443 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.76 127.99 6.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.556 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 77' ' ' LEU . 75.9 tt0 -162.49 141.67 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.501 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.74 142.89 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.569 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 66.2 mtp180 -107.14 134.53 50.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.59 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -87.03 118.0 4.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.72 43.92 16.63 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 40.14 36.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 1.0 110.609 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -75.8 -49.09 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.554 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' NE ' ' A' ' 69' ' ' ARG . 35.3 mt -120.91 135.45 24.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.46 167.3 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.755 2.303 . . . . 1.0 112.051 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -107.96 126.81 53.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.671 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.545 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 12.7 mt -84.3 21.84 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.7 130.09 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.73 -8.94 75.92 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 61.4 mt -84.99 143.37 28.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 1.0 110.544 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.4 p -111.5 149.91 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 21.3 m-85 -116.51 146.34 37.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.468 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -70.23 146.57 57.65 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.743 2.296 . . . . 1.0 112.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -70.24 -40.35 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.764 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.47 -15.06 1.09 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 84' ' ' ALA . 54.8 t0 -71.87 -27.28 62.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 1.0 110.508 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.56 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.1 mm -111.82 102.63 53.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.586 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.8 Cg_exo -45.61 -117.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.863 2.376 . . . . 1.0 112.126 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -159.24 -54.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -46.33 -42.94 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.706 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -73.03 -46.5 51.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -54.13 -33.28 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.59 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.73 -33.61 76.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.56 -33.39 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.541 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 16.6 m-85 -70.81 -35.85 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.604 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 38.5 mtm180 -86.39 -18.91 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.81 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.638 ' N ' HE22 ' A' ' 99' ' ' GLN . 82.4 mt -100.4 -48.7 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.163 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 -16.12 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.146 -173.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.796 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 43.33 56.82 4.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.806 -179.217 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 p -157.6 123.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.453 -178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.66 HH11 ' HE ' ' A' ' 133' ' ' ARG . 15.3 tpt180 -165.27 127.16 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.454 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.2 t -145.73 150.71 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.63 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 27.7 mt -109.59 127.41 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.622 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.659 ' CG1' HE21 ' A' ' 132' ' ' GLN . 0.3 OUTLIER -84.64 172.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -52.87 118.24 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.42 -19.51 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.635 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -66.18 -42.57 88.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.413 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -61.71 -0.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.534 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 107' ' ' GLU . 15.9 pt20 39.84 67.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.754 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -92.43 123.83 36.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.21 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.929 0.395 . . . . 1.0 110.993 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.481 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.9 OUTLIER -119.39 157.04 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.857 177.425 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.4 ' CG2' ' O ' ' A' ' 112' ' ' SER . 25.8 pt -156.3 162.79 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.023 -178.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.7 t -78.6 171.33 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.448 178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -148.82 154.04 39.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.642 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.26 -20.11 62.27 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.793 2.328 . . . . 1.0 112.048 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -148.26 130.32 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.2 m -115.16 148.26 39.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.55 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -93.11 137.86 32.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . -178.26 -103.59 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' SER . 23.0 mt 45.03 96.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 1.0 110.522 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.526 ' C ' ' H ' ' A' ' 124' ' ' ARG . 0.8 OUTLIER 76.49 103.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -69.88 10.85 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.581 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' A' ' 122' ' ' SER . 72.5 mtm180 -52.45 -13.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.613 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.421 ' H ' ' C ' ' A' ' 123' ' ' ALA . 58.1 t -105.76 121.33 46.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.576 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.56 149.14 23.74 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.764 2.309 . . . . 1.0 112.129 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.8 tp 59.84 -102.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.28 11.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.478 ' CD ' ' NH1' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -118.54 170.27 6.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.931 0.396 . . . . 1.0 110.634 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.59 ' C ' ' H ' ' A' ' 132' ' ' GLN . 66.2 Cg_exo -49.76 168.49 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.926 2.418 . . . . 1.0 112.287 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.43 ' O ' ' CD ' ' A' ' 132' ' ' GLN . 3.8 tp -67.46 12.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.495 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.659 HE21 ' CG1' ' A' ' 104' ' ' VAL . 7.4 mm100 -139.1 158.1 44.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.552 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.66 ' HE ' HH11 ' A' ' 101' ' ' ARG . 9.0 mmm180 -126.0 80.21 68.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.562 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -48.79 142.04 19.86 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.943 2.429 . . . . 1.0 112.282 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.93 132.1 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.378 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.649 ' OD2' HMD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -41.89 151.86 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.742 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -47.72 -12.05 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.941 2.427 . . . . 1.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.688 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -60.47 -46.8 88.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.6 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -24.25 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 45.0 t -58.67 -56.31 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.254 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -70.21 -50.13 43.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -47.75 -47.17 30.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.273 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.4 mt -71.91 -47.85 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.487 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -57.04 -43.17 81.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.566 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.6 p -66.88 -20.09 65.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.591 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.541 ' CE ' HH22 ' A' ' 50' ' ' ARG . 17.8 mmm -93.58 -3.24 53.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.81 21.47 68.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.19 142.64 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 1.0 110.674 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.37 -45.96 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.226 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.4 p -132.78 118.69 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.063 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.9 p -129.1 142.78 50.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.968 0.413 . . . . 1.0 110.948 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -101.7 133.15 46.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.069 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.15 127.66 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.086 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.7 t -131.86 117.57 16.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.019 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.67 152.41 33.16 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.945 2.43 . . . . 1.0 112.799 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 54.8 mt -115.45 111.96 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.155 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.0 ptm -135.17 158.53 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.0 110.682 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.631 ' NE2' ' CD2' ' A' ' 159' ' ' HIS . 83.8 t60 -132.31 127.97 36.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.435 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.631 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 4.8 m-70 59.44 -103.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -119.52 -6.61 10.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.48 -177.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.422 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 11.9 pt-20 -104.58 157.04 17.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.644 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.2 128.26 54.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.469 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.422 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 13.7 m95 -102.06 -43.72 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.71 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.55 -176.93 33.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -176.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.03 142.23 36.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.879 0.371 . . . . 1.0 110.683 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.9 tp -105.28 152.41 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.142 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 15.0 p -158.53 134.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 1.0 111.046 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.3 p -117.54 141.83 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.124 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.678 ' CE1' ' HZ1' ' A' ' 52' ' ' LYS . 18.2 m80 -116.25 133.44 56.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.953 0.406 . . . . 1.0 111.052 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.714 ' ND1' ' N ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER -124.63 129.59 50.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.373 177.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -87.85 25.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 45.6 mt-10 -159.69 150.64 15.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.528 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.05 128.83 19.35 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.817 2.345 . . . . 1.0 112.282 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -165.74 91.96 0.86 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.374 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.07 163.63 3.13 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.901 2.401 . . . . 1.0 112.17 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.423 ' OH ' ' NE2' ' A' ' 170' ' ' HIS . 88.2 m-85 -111.6 146.11 37.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.447 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.554 ' HG ' ' H ' ' A' ' 180' ' ' GLU . 89.2 p -106.16 158.57 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.642 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.75 -42.74 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.428 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 46.5 mp0 -60.42 -43.43 96.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.554 ' H ' ' HG ' ' A' ' 177' ' ' SER . 79.0 mm-40 -83.76 -11.42 57.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.362 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 177' ' ' SER . 20.6 tp -72.56 -48.32 41.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.305 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.448 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 13.4 pt20 -69.9 -43.43 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.25 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 53.6 t -45.87 -54.54 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.107 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 185' ' ' GLN . 7.2 p -77.41 -52.52 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.457 ' N ' ' CG1' ' A' ' 184' ' ' VAL . 54.5 tp60 -51.14 -40.55 58.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.943 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 182' ' ' GLN . 28.6 tp -73.04 -45.52 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.938 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.3 -43.66 53.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 1.0 109.792 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.07 97.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.724 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.88 -36.44 76.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 1.0 109.794 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -69.32 -29.3 67.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.899 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.16 -48.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.061 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.5 m -53.71 -33.51 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.043 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 40.8 mt -68.68 -33.97 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.57 85.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.237 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.4 mt -56.42 -48.64 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.227 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.433 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -67.2 -49.86 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.26 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.54 -46.8 88.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.251 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.455 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.1 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.268 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -52.93 -42.41 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.474 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.79 -27.75 2.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.447 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 79.5 p -49.73 -59.91 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.904 -1.046 . . . . 1.0 110.52 179.729 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.688 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -53.94 -33.15 55.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.31 -47.85 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.619 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.06 -43.63 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' O ' HG21 ' A' ' 38' ' ' THR . 79.9 mt -61.83 -32.25 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -75.14 -41.55 58.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.759 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.1 -29.95 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.721 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.527 HG21 ' O ' ' A' ' 35' ' ' LEU . 2.4 t -71.0 -35.04 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.708 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.44 -23.44 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.71 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.13 -44.2 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.72 -36.79 70.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.665 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.93 -53.54 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.733 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 47' ' ' GLY . 22.0 ttp-105 -52.76 -43.55 65.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.733 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.02 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.646 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.16 -38.13 89.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.591 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.69 -15.29 24.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.582 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.06 24.61 9.03 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 96.2 m -76.09 144.95 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.629 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' THR . 91.6 m-20 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.522 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.641 HH21 ' CG2' ' A' ' 148' ' ' VAL . 36.7 ptt180 -150.35 146.91 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.895 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.8 t -141.58 133.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.924 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.567 ' NZ ' ' CD1' ' A' ' 77' ' ' LEU . 41.5 mttt -133.77 145.86 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 1.0 111.137 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.1 t -98.27 138.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 1.0 109.857 176.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.54 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 17.5 t80 -121.15 119.52 32.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 1.0 111.204 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -93.32 133.87 36.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.991 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -99.64 132.16 45.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 1.0 110.928 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 61' ' ' HIS . 1.0 OUTLIER -101.18 150.9 37.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.465 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.48 -32.38 26.83 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.891 2.394 . . . . 1.0 112.127 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 98.0 mt-10 -79.05 -7.19 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.551 -177.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.68 -16.3 54.86 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.552 ' NE2' ' OD2' ' A' ' 57' ' ' ASP . 22.5 p-80 -80.1 152.77 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 1.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.33 163.82 26.0 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -136.1 159.93 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 1.0 110.601 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 t -92.42 108.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.631 178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 t -105.75 -0.97 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.453 -179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.51 130.75 7.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.552 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.4 tm-20 -162.5 139.99 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.466 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.54 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.618 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.536 ' NE ' ' OE1' ' A' ' 72' ' ' GLU . 36.8 ptt180 -135.81 146.01 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.546 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.6 149.57 16.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.55 31.74 0.42 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' NE ' ' A' ' 69' ' ' ARG . 79.8 mm-40 42.45 18.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 40.0 ttm180 -58.24 -40.17 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.61 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 mt -118.19 120.1 32.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.612 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.29 167.8 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.728 2.286 . . . . 1.0 112.013 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 p -99.82 130.02 45.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.567 ' CD1' ' NZ ' ' A' ' 52' ' ' LYS . 18.4 mt -102.04 14.71 31.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.445 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.14 135.0 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.13 -9.17 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.5 mt -83.98 144.98 28.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 110.546 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -105.83 134.65 48.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -105.53 113.9 63.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 1.0 110.456 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.03 145.16 5.44 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.649 2.233 . . . . 1.0 112.185 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.24 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.825 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.79 -20.6 8.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.72 -8.09 44.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.504 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.592 ' O ' ' O ' ' A' ' 88' ' ' PRO . 3.1 mt -134.99 101.4 11.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.631 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.592 ' O ' ' O ' ' A' ' 87' ' ' ILE . 82.4 Cg_exo -43.58 -117.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.889 2.392 . . . . 1.0 112.12 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -160.69 -41.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.535 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 88.6 tt0 -55.66 -45.06 77.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.691 -179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' O ' ' HD1' ' A' ' 95' ' ' PHE . . . -68.82 -36.35 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.795 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -63.87 -33.94 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.724 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -63.73 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.7 -35.77 73.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.55 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 86.8 m-85 -68.74 -34.78 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.583 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 84.2 mtm-85 -88.64 -20.21 25.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.848 -178.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' N ' HE22 ' A' ' 99' ' ' GLN . 75.6 mt -95.46 -51.29 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.157 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.2 -12.33 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.147 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.746 ' NE2' ' N ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.54 51.1 10.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.88 -178.664 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.0 t -152.94 119.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.458 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.448 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -167.46 126.04 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.48 178.097 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.9 t -145.07 152.3 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.673 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.7 mt -106.67 126.64 62.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.56 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.418 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 10.2 t -84.38 171.13 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.46 -177.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 32.5 m-20 -52.24 116.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.615 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.03 -16.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.46 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -67.36 -42.59 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.399 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.1 -1.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.512 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.7 pt20 40.16 66.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.722 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.45 124.71 35.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.245 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -111.54 141.5 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.961 0.41 . . . . 1.0 111.077 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.439 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 1.1 t -130.44 110.2 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.949 177.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 114' ' ' SER . 68.0 mt -112.06 170.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.71 -0.396 . . . . 1.0 111.023 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.51 ' N ' ' CG2' ' A' ' 113' ' ' ILE . 70.2 m -76.12 172.35 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.396 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 118' ' ' SER . 88.6 mm-40 -128.11 77.47 76.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.641 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -47.62 -23.92 4.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.799 2.333 . . . . 1.0 111.979 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.9 -31.49 71.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.548 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 115' ' ' GLN . 33.0 t -147.63 155.52 41.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.534 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -52.21 -38.5 58.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 148.25 169.57 15.36 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.09 144.2 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 1.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -101.96 134.67 44.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.695 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -80.23 4.4 17.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.607 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.95 3.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.586 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.695 ' H ' ' C ' ' A' ' 123' ' ' ALA . 15.9 m -133.0 142.67 45.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.586 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 139.29 12.23 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.738 2.292 . . . . 1.0 112.149 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.8 tp 61.02 -117.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.554 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.81 -12.18 69.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.94 160.5 31.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 1.0 110.641 -179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.659 ' C ' ' H ' ' A' ' 132' ' ' GLN . 20.2 Cg_endo -59.54 168.75 4.87 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.978 2.452 . . . . 1.0 112.206 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.3 12.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.529 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.659 ' H ' ' C ' ' A' ' 130' ' ' PRO . 42.8 mt-30 -145.31 161.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.479 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -132.32 87.08 43.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -47.54 139.82 17.22 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.925 2.417 . . . . 1.0 112.356 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.1 m -87.37 159.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.352 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.2 OUTLIER -88.68 138.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.776 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -41.1 -32.53 1.04 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.9 2.4 . . . . 1.0 111.824 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -72.26 -34.44 68.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 178.078 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.713 ' CE1' ' HNE' ' A' ' 301' ' ' CYC . 6.8 t60 -87.2 -25.6 23.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.099 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 70.5 t -57.38 -54.74 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.222 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -46.45 -44.65 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.34 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 mt -73.88 -45.08 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.436 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -55.41 -44.32 76.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.558 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -64.22 -16.53 62.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.622 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 36.4 mmm -96.44 -1.8 46.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.87 21.94 73.05 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.641 ' CG2' HH21 ' A' ' 50' ' ' ARG . 98.6 t -103.87 138.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 1.0 110.67 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.35 -52.86 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.202 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 172' ' ' GLU . 44.2 p -132.83 114.59 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.986 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 70.8 p -131.82 145.72 51.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.049 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 8.5 mp -101.86 132.25 47.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.059 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.87 103.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 111.037 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 166' ' ' LEU . 91.6 t -108.15 120.67 46.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.108 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.24 159.07 26.46 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.949 2.433 . . . . 1.0 112.756 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.1 mt -123.09 111.98 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.124 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.7 ptm -133.45 157.7 44.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 1.0 110.679 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.572 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 55.3 t-80 -132.62 123.21 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.549 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 66.96 -111.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.497 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -114.88 -7.12 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.514 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 162' ' ' LEU . 25.5 tp10 -102.89 154.05 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -176.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.523 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 16.3 tp -105.53 127.44 53.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.447 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -100.72 -40.34 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.633 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.54 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.89 -176.38 35.72 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -176.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.9 mp -138.68 146.56 41.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.338 . . . . 1.0 110.654 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 154' ' ' VAL . 5.3 tp -109.59 154.53 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.16 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -160.95 138.66 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 1.0 110.991 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 10.5 m -118.44 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.184 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.522 ' O ' ' CG2' ' A' ' 48' ' ' THR . 18.9 m80 -109.35 130.74 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.025 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.41 128.09 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.83 39.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.416 ' O ' ' OG ' ' A' ' 150' ' ' SER . 1.9 pt-20 -163.13 154.82 15.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.582 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 174' ' ' ARG . 53.4 Cg_endo -70.41 -99.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.734 2.29 . . . . 1.0 112.264 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 173' ' ' PRO . 17.9 mtp-105 56.47 131.11 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 1.0 110.349 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.19 162.6 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.809 2.339 . . . . 1.0 112.199 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -108.74 155.26 20.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.444 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 88.6 p -112.95 152.4 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . 0.509 ' N ' ' OE1' ' A' ' 178' ' ' GLN . 1.1 mp0 -63.38 -37.25 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.495 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.85 -58.31 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.338 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.13 -25.1 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.447 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.39 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.337 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.51 -52.07 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.274 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.22 -49.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.067 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -50.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.114 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -51.29 -40.23 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.92 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.46 -47.54 32.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.994 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.61 -45.39 57.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.82 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.67 98.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.824 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -60.99 -37.95 84.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.741 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.77 -30.31 68.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 42.6 t -75.54 -49.57 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.978 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.409 ' O ' ' CG1' ' A' ' 195' ' ' ILE . 26.5 p -51.66 -27.08 10.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.0 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 193' ' ' ILE . 45.2 mt -76.67 -34.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.13 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.97 96.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.198 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 196' ' ' ALA . 14.8 pt -68.32 -27.82 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.212 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.572 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -73.06 -52.62 13.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.279 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' A' ' 198' ' ' ALA . 3.4 pp0? -69.4 -37.18 77.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.256 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 197' ' ' GLN . . . -66.35 -36.26 82.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.86 -41.58 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.413 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.27 -33.1 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.3 m -52.99 -58.43 7.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.46 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.897 -1.049 . . . . 1.0 110.515 179.587 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.731 ' H3C' HMD2 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 49.5 t0 -48.5 -34.09 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.652 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.73 -48.0 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mm -59.45 -46.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.616 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.547 ' O ' ' OG1' ' A' ' 38' ' ' THR . 38.0 mt -57.93 -31.38 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.591 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 39' ' ' VAL . 61.2 ttm-85 -65.91 -41.63 91.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.747 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -26.58 60.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.74 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.7 p -66.07 -37.98 87.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.617 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.18 -24.74 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.777 -179.047 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.2 -36.77 66.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.2 -37.37 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.761 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 38' ' ' THR . 55.5 t -58.67 -57.73 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.69 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.1 ptm180 -49.56 -42.76 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -58.49 -50.41 73.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.66 -43.21 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.529 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.63 -11.91 30.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 53.74 25.42 29.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 78.7 m -73.85 137.56 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 1.0 110.584 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.1 p30 -54.1 -40.65 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.466 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.578 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 39.1 ttt180 -144.32 128.92 18.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.881 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.46 132.83 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.971 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.64 152.5 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 1.0 111.23 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.565 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.9 t -96.89 138.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.928 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 165' ' ' LEU . 19.4 t80 -118.73 117.51 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 1.0 111.194 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -92.28 130.76 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.063 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 72.1 t80 -97.48 126.71 42.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 1.0 110.89 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 6.9 m-20 -94.04 162.16 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.4 -22.94 44.77 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.88 2.387 . . . . 1.0 112.1 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.51 1.69 54.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.582 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 97.17 -17.27 59.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.3 m-70 -77.72 149.61 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 1.0 110.638 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.29 159.68 24.82 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.5 p -135.02 157.96 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 1.0 110.547 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.434 HG13 ' H ' ' A' ' 79' ' ' GLY . 2.2 p -95.23 112.56 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.649 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.6 t -108.34 0.33 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.407 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.66 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.39 129.74 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.527 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.4 tt0 -162.1 142.09 10.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.57 142.52 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.602 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' A' ' 72' ' ' GLU . 36.6 ptt-85 -125.74 142.42 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.665 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.75 122.6 7.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 58.37 36.45 83.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG2' ' HE ' ' A' ' 69' ' ' ARG . 95.6 mt-10 42.43 18.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 1.0 110.55 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' GLY . 10.8 tpp180 -56.61 -44.73 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.555 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.58 121.14 43.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.597 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.517 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 77.6 Cg_exo -49.76 166.88 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.81 2.34 . . . . 1.0 112.004 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.7 t -96.41 141.12 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.664 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' HG ' HH22 ' A' ' 50' ' ' ARG . 17.3 mt -117.91 4.72 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.436 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.07 138.04 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.52 -176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.434 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.02 -7.17 82.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.774 -0.931 . . . . 1.0 110.774 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.2 143.75 27.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 1.0 110.55 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 m -103.62 131.7 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -100.99 137.71 19.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 39.2 Cg_endo -73.36 131.14 15.96 Favored 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 122.747 2.298 . . . . 1.0 112.137 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -56.32 -32.83 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.809 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.5 -18.66 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 37.2 p-10 -63.87 -23.6 67.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 1.0 110.461 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 20.2 mt -138.33 94.2 10.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.605 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 64.2 Cg_exo -34.51 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.849 2.366 . . . . 1.0 112.075 -178.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.9 tt0 -171.4 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -56.94 -43.95 82.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.602 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB1' HH12 ' A' ' 101' ' ' ARG . . . -70.3 -38.85 75.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.769 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -63.18 -33.32 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.03 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.21 -36.37 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.513 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -68.33 -30.74 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -93.2 -21.36 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.837 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.462 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 66.3 mt -92.65 -49.82 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.136 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -10.99 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.131 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.462 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER 43.19 57.36 3.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.838 -178.819 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 100' ' ' VAL . 12.4 p -158.86 121.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.481 HH12 ' HB1' ' A' ' 91' ' ' ALA . 4.0 tpt180 -168.49 130.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.444 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.2 t -146.18 151.9 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.575 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.52 128.4 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 105' ' ' ASP . 11.3 t -85.44 172.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.445 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.672 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.4 t0 -52.75 116.81 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.527 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 140' ' ' VAL . 12.4 p -48.97 -14.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.5 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 105' ' ' ASP . 82.8 tt0 -67.73 -41.86 82.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.456 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -65.08 -2.24 2.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.558 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.2 pt20 39.49 68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.672 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 p -89.69 124.96 35.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.246 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -111.78 141.32 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 1.0 110.987 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.444 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.891 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.899 0.38 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 141.47 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 123.001 2.467 . . . . 1.0 112.27 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 135' ' ' VAL . 27.0 m -115.07 126.2 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.343 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -38.34 154.78 0.13 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.783 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.91 -38.12 93.57 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.003 2.469 . . . . 1.0 111.744 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.555 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -56.79 -30.55 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.591 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.421 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 1.6 t60 -86.58 -30.93 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.183 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.574 HG13 HG23 ' A' ' 106' ' ' VAL . 62.6 t -57.26 -52.2 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.258 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -60.99 -45.0 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -46.71 -43.69 18.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.336 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.57 -44.81 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.416 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -54.64 -45.01 73.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -62.78 -15.93 55.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.42 -3.03 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.11 23.08 66.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.4 t -107.79 140.16 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.631 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.45 -51.37 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.232 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.6 m -130.14 115.07 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.2 t -130.89 143.82 51.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 1.0 110.979 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.7 mp -102.77 131.74 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.043 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.0 t -111.04 104.33 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.052 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 21.0 t -107.48 122.78 40.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.005 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.11 152.93 24.59 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.929 2.42 . . . . 1.0 112.815 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.7 108.88 15.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.093 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.4 ptm -136.29 165.49 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 1.0 110.622 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.643 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 78.2 t60 -144.89 122.3 11.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.565 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 60.9 t60 76.3 -113.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.525 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -117.63 -4.26 11.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.498 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -106.8 158.66 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.588 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 27.9 tp -107.7 129.11 55.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -99.3 -42.68 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.705 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.28 -176.48 30.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.244 -0.743 . . . . 1.0 111.244 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -139.06 134.02 32.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.353 . . . . 1.0 110.721 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.565 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.7 tp -102.88 154.57 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.219 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.52 140.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 1.0 111.026 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 48.3 m -118.71 136.17 54.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.181 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.7 m-70 -109.15 126.57 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 1.0 111.044 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.437 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 74.3 m80 -122.83 123.99 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.37 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 172' ' ' GLU . . . -83.46 35.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.628 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 171' ' ' ALA . 1.3 pm0 -173.29 149.87 1.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.553 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.05 138.18 51.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.832 2.355 . . . . 1.0 112.186 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -167.46 93.28 0.68 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 158.19 8.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.845 2.363 . . . . 1.0 112.239 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -110.14 148.23 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.413 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 181' ' ' LEU . 46.3 m -107.33 154.13 21.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.628 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -53.55 -41.82 66.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.385 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -53.83 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.366 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.21 -31.54 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.383 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 177' ' ' SER . 58.3 tp -61.97 -39.5 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.234 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 186' ' ' LEU . 48.8 tt0 -65.2 -47.53 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.258 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.0 t -46.19 -54.32 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.101 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.646 HG13 ' N ' ' A' ' 185' ' ' GLN . 6.4 p -76.44 -52.56 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.189 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.646 ' N ' HG13 ' A' ' 184' ' ' VAL . 56.5 tp60 -52.3 -40.1 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 1.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.459 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 34.2 tp -74.44 -47.11 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.8 tp -49.51 -43.33 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.826 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.02 -38.67 89.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.768 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 190' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 190' ' ' GLN . 1.9 mp0 -67.51 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.888 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.61 -47.58 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.069 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.03 -33.64 57.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.982 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.73 -33.93 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.068 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.26 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.77 -34.46 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.187 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.643 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -74.98 -54.24 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.258 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.508 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 11.9 pt20 -63.53 -41.46 98.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.222 -176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.2 -33.63 75.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.303 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -53.54 -43.96 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.407 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 42.2 mt -48.61 -35.78 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.443 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -56.68 -61.41 2.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.519 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.526 179.687 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' ' 35' ' ' LEU . 6.6 tp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 1.0 110.591 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -52.32 -32.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.673 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -50.44 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.692 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 38' ' ' THR . 96.7 mt -57.3 -47.68 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.643 ' CD1' HH21 ' A' ' 55' ' ' ARG . 41.5 mt -56.44 -32.11 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.593 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.549 ' O ' HG12 ' A' ' 39' ' ' VAL . 35.5 ttp180 -62.54 -41.93 99.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.789 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.09 -26.74 59.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.787 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 34' ' ' ILE . 75.0 p -67.75 -37.64 82.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.704 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.666 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -68.24 -26.26 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.702 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.17 -36.25 40.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.31 -53.24 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.691 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 43' ' ' ARG . 21.7 m -52.45 -46.04 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.813 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.778 ' O ' ' N ' ' A' ' 47' ' ' GLY . 45.0 ttp180 -47.76 -46.01 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -47.11 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -63.49 -41.6 98.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' A' ' 48' ' ' THR . 4.3 mt -95.94 -11.69 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.516 -178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.778 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.62 28.19 3.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 46' ' ' LEU . 2.8 p -76.27 142.3 41.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 1.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -53.03 -41.51 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.506 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 47.2 ttt85 -143.56 135.31 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.897 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 p -147.49 132.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.006 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HZ3' ' CE1' ' A' ' 169' ' ' HIS . 10.4 pttm -136.61 151.37 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 1.0 111.225 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.5 t -98.9 139.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.851 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 165' ' ' LEU . 16.8 t80 -122.34 121.0 35.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.871 0.367 . . . . 1.0 111.265 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.643 HH21 ' CD1' ' A' ' 35' ' ' LEU . 38.3 ttm180 -100.27 140.06 35.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.94 139.05 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 1.0 110.857 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.0 m-20 -100.36 152.39 37.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.478 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -41.1 -45.99 5.27 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.831 2.354 . . . . 1.0 112.114 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.5 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.628 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 106.04 -7.23 40.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 70.2 m80 -76.87 148.74 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 1.0 110.599 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.93 160.52 24.62 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.8 p -137.06 160.54 38.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -91.87 108.61 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -107.03 -3.9 10.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.42 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.666 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.67 127.6 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.533 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.453 ' N ' HD21 ' A' ' 78' ' ' LEU . 13.9 tm-20 -162.06 141.33 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.412 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.19 138.21 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.647 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' OG ' ' A' ' 76' ' ' SER . 5.3 ptp180 -114.15 139.02 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.93 118.72 6.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 57.09 41.79 92.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 42.0 mp0 40.18 22.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 1.0 110.561 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 55.3 ttm-85 -60.09 -42.41 94.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.542 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HB2' HH11 ' A' ' 50' ' ' ARG . 77.7 mt -116.5 145.97 36.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.518 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.534 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 46.7 Cg_endo -68.96 167.88 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.754 2.303 . . . . 1.0 112.125 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.533 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 70.8 m -97.21 127.7 43.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.726 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' A' ' 80' ' ' LEU . 22.6 mt -97.38 12.81 31.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.46 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 67' ' ' GLU . 91.4 mt -60.4 132.85 55.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.17 -12.35 62.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 77' ' ' LEU . 65.0 mt -81.4 143.95 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.311 . . . . 1.0 110.601 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 m -104.98 131.71 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.29 140.08 20.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.445 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.429 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.8 Cg_endo -71.88 137.6 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.141 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -66.24 -33.31 75.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.76 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.6 -15.96 0.55 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 84' ' ' ALA . 49.1 p-10 -67.9 -21.54 65.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.417 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 63.4 mt -133.14 92.37 25.43 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 67.5 Cg_exo -35.44 -96.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.912 2.408 . . . . 1.0 112.035 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.512 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 83.8 tt0 -167.91 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -53.37 -44.76 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.666 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.11 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.766 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -68.4 -32.73 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.512 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 93.2 mtt-85 -63.24 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.586 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.486 HD12 HH21 ' A' ' 133' ' ' ARG . 7.9 mt -61.64 -34.28 75.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.626 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CE2' ' HG2' ' A' ' 101' ' ' ARG . 4.5 m-85 -64.96 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.694 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 51.6 ttp85 -91.78 -20.12 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.78 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 97' ' ' LEU . 33.2 mt -90.87 -52.52 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.182 -175.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -109.18 -12.01 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.133 -173.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.617 ' C ' HH21 ' A' ' 101' ' ' ARG . 13.5 mp0 42.39 56.12 3.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.878 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 99' ' ' GLN . 5.8 m -156.54 109.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.448 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.617 HH21 ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -154.88 122.97 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -178.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.76 151.12 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.573 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.05 127.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.585 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.705 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.2 p -85.59 173.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.384 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.705 ' H ' HG22 ' A' ' 104' ' ' VAL . 67.6 t0 -50.06 117.85 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.79 -18.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.591 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -72.43 -38.06 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.437 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.75 -13.54 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.576 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 54.48 66.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.718 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -97.84 123.51 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.137 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -112.21 142.52 44.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.966 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 134' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.935 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.486 HH21 HD12 ' A' ' 94' ' ' LEU . 38.3 ttt-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.884 0.373 . . . . 1.0 110.615 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.446 ' O ' ' OG ' ' A' ' 112' ' ' SER . 73.5 Cg_exo -49.46 141.29 25.93 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.942 2.428 . . . . 1.0 112.28 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.65 131.52 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.337 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 138' ' ' CYS . 0.8 OUTLIER -42.0 145.35 0.75 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.725 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.27 -12.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.015 2.477 . . . . 1.0 111.75 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -63.15 -40.34 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.621 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -23.79 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.152 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.8 -64.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.214 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.24 -47.19 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.387 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -47.05 -46.16 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.325 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -47.09 49.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.558 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.4 p -64.9 -16.92 63.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.558 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 20.6 mmm -98.29 -3.74 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.54 21.51 66.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.84 141.33 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 1.0 110.622 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.98 -49.05 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.186 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.5 t -130.2 118.77 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.032 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.4 p -132.72 144.21 50.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.374 . . . . 1.0 110.975 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.5 tt -103.76 131.91 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.081 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.603 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 2.8 t -112.72 132.25 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.057 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 166' ' ' LEU . 4.9 t -134.48 124.02 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.061 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.503 ' HD3' ' NE ' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -78.08 149.8 25.76 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.935 2.423 . . . . 1.0 112.762 -175.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.1 mt -112.52 108.11 17.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.162 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.602 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 15.9 ptm -135.3 156.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 1.0 110.677 -174.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.544 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 27.6 t60 -127.43 122.63 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.504 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 68.8 t60 63.12 -104.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -116.59 -4.74 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.46 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -102.58 149.42 24.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.669 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -103.18 126.77 50.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.372 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -101.7 -43.68 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.686 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.99 -176.69 32.34 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.156 -0.778 . . . . 1.0 111.156 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.3 mp -138.28 136.3 36.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.362 . . . . 1.0 110.67 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.598 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.9 tp -102.58 151.78 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.463 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.6 p -157.58 137.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 1.0 111.069 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.51 131.98 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.106 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 169' ' ' HIS . 6.8 m-70 -104.5 131.33 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 1.0 111.048 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -125.73 127.69 46.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.339 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -86.51 35.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.683 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 67.0 mt-10 -158.56 147.82 14.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.488 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.45 136.38 19.44 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.792 2.328 . . . . 1.0 112.251 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -172.71 130.92 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.416 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.0 166.03 27.38 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 1.0 112.276 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -113.57 148.34 36.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.47 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 93.8 p -113.01 153.57 27.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.628 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.37 -37.84 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.421 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -69.6 -54.99 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.386 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -35.79 82.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.414 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.63 -38.65 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.312 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 186' ' ' LEU . 49.4 tt0 -60.16 -48.12 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.226 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.5 t -45.05 -52.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.038 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.26 -52.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.16 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -51.97 -34.82 44.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.931 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' GLN . 59.1 tp -75.74 -52.42 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.991 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 mt -50.39 -44.91 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.801 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.53 93.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.816 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -61.77 -37.72 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.739 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.21 -31.0 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.875 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.1 -48.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.025 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -34.16 61.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 1.0 109.95 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.93 -32.82 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.114 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.63 84.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.55 -33.56 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.229 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.544 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -75.23 -54.26 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.253 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.4 pt20 -63.84 -40.62 97.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.24 -176.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.53 -33.33 74.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.352 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.45 -44.63 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.429 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 200' ' ' LEU . 42.3 mt -49.64 -34.64 18.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 12.7 m -53.82 -59.8 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.549 179.592 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.25 -32.3 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.44 -49.3 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.657 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 38' ' ' THR . 96.5 mt -57.77 -50.26 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.66 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' ' OG1' ' A' ' 38' ' ' THR . 55.3 mt -56.92 -31.47 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.677 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.668 ' O ' HG12 ' A' ' 39' ' ' VAL . 23.8 ttm180 -64.07 -40.23 95.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.772 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.16 59.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.565 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 60.5 p -66.33 -36.71 83.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.652 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.764 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 2.3 p -67.92 -27.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.749 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.13 -39.67 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.46 -54.85 14.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.675 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 43' ' ' ARG . 26.9 m -51.89 -46.21 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.4 ttm180 -45.84 -45.0 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.674 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.82 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.577 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -60.66 -44.24 96.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.4 -9.92 34.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.469 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.01 26.92 0.94 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 36.9 m -75.1 142.45 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.807 0.336 . . . . 1.0 110.574 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -50.94 -43.27 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.453 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.536 HH21 HD13 ' A' ' 74' ' ' LEU . 14.7 mtt85 -144.08 135.69 25.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.952 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.56 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 9.1 p -143.74 133.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.897 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -135.29 149.64 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.001 0.429 . . . . 1.0 111.147 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.8 t -101.01 137.33 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.904 176.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 23.3 t80 -116.73 116.39 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 1.0 111.239 -177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -94.58 136.18 35.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.048 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.54 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 1.0 110.926 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.9 m-20 -100.88 151.7 37.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.479 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.18 -45.52 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.827 2.351 . . . . 1.0 112.063 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.79 -8.15 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.589 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.89 -9.27 51.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.8 m80 -75.39 147.98 39.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 1.0 110.594 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.18 159.8 24.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 p -136.87 160.58 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.8 t -88.32 105.81 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -104.07 -5.94 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.447 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.44 122.53 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.536 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 65.1 tt0 -152.09 138.38 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.517 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HB1' ' NH2' ' A' ' 43' ' ' ARG . . . -132.97 133.73 43.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.631 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.523 HH21 ' CB ' ' A' ' 76' ' ' SER . 7.5 ptp85 -107.59 135.68 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.664 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.4 5.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 48.98 42.38 30.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 40.65 22.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 1.0 110.58 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 77.9 ttt180 -54.9 -46.28 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.615 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.536 HD13 HH21 ' A' ' 50' ' ' ARG . 5.5 mp -114.54 162.97 20.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.61 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.35 167.66 24.56 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.736 2.29 . . . . 1.0 111.995 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.523 ' CB ' HH21 ' A' ' 69' ' ' ARG . 25.5 t -97.92 122.23 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.612 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.608 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 27.9 mt -96.13 12.11 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.409 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.13 136.92 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.492 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.5 76.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 77' ' ' LEU . 84.5 mt -85.86 146.95 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 1.0 110.495 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -106.94 136.48 46.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.437 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -103.53 140.95 21.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.492 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -70.77 137.05 31.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.746 2.297 . . . . 1.0 112.168 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.18 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.11 -16.67 1.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -67.83 -27.65 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 1.0 110.543 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.637 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.2 mm -106.74 105.3 54.58 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.521 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.637 ' O ' ' O ' ' A' ' 87' ' ' ILE . 84.6 Cg_exo -47.12 -131.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.961 2.441 . . . . 1.0 112.048 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -145.55 -53.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -53.32 -42.92 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.636 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.92 73.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.774 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -61.89 -36.96 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.7 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -62.58 -35.62 80.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.73 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.527 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 89.8 m-85 -68.76 -32.57 72.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.7 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.443 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 34.0 ttm180 -86.43 -20.36 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.785 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 mt -101.9 -50.75 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.15 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 100' ' ' VAL . . . -103.97 -16.45 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.16 -173.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.606 ' O ' HG13 ' A' ' 100' ' ' VAL . 1.2 mp0 44.13 52.69 6.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.82 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 99' ' ' GLN . 13.1 m -160.01 128.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.371 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -172.44 129.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.483 177.467 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.67 153.02 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.646 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.71 127.79 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.655 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 105' ' ' ASP . 6.5 t -84.34 172.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.49 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.655 ' H ' HG12 ' A' ' 104' ' ' VAL . 59.7 m-20 -50.4 115.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.502 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.455 HG13 ' CG1' ' A' ' 140' ' ' VAL . 38.7 t -50.45 -15.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.9 tt0 -74.2 -36.93 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.8 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 54.05 66.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.292 176.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -111.87 140.57 46.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 1.0 111.016 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.471 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.813 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.922 0.391 . . . . 1.0 110.573 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.16 142.07 18.98 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.927 2.418 . . . . 1.0 112.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 135' ' ' VAL . 33.6 m -114.96 127.49 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.376 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.471 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -36.91 140.39 0.44 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.784 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.22 -40.99 16.82 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.967 2.445 . . . . 1.0 111.788 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -29.86 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.56 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -88.18 -28.9 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.14 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 106' ' ' VAL . 90.1 t -59.92 -49.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.235 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.91 -45.89 80.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.389 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -45.89 -41.57 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.269 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.23 -42.21 55.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.428 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -56.95 -45.23 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 t -63.13 -15.77 57.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.564 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 50.9 mmm -98.0 -1.22 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.9 20.9 72.52 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.7 t -107.1 140.96 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 1.0 110.696 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.85 -50.42 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.163 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.2 p -132.45 115.21 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.054 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.5 p -131.99 145.33 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.02 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.9 mp -101.67 130.57 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.074 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.9 t -112.72 106.67 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 1.0 111.018 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 t -109.67 122.34 39.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.023 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.77 153.26 33.44 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.911 2.407 . . . . 1.0 112.765 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 55.8 mt -115.72 110.26 18.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.103 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.441 ' HB3' HD12 ' A' ' 162' ' ' LEU . 0.5 OUTLIER -134.55 156.05 49.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 1.0 110.698 -175.246 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.63 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 43.0 t60 -123.35 122.21 37.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.493 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.624 ' CE1' ' CE1' ' A' ' 158' ' ' HIS . 46.2 m170 59.87 -99.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -119.12 -6.69 10.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -100.3 149.61 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.726 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 157' ' ' MET . 21.5 tp -102.1 125.76 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.47 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -101.56 -44.73 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.648 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.31 -177.87 33.8 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.266 -0.734 . . . . 1.0 111.266 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 54' ' ' TYR . 32.6 mt -134.79 137.42 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 1.0 110.709 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.493 ' CD1' HG22 ' A' ' 53' ' ' VAL . 9.8 tp -103.46 150.07 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.187 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 12.3 p -160.14 138.77 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 1.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.42 ' OG ' ' CB ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -115.56 138.61 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.151 177.475 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 48' ' ' THR . 10.4 m-70 -104.73 121.91 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.029 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.54 115.21 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.383 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -87.11 21.08 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -150.66 113.06 3.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.532 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.71 114.27 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.835 2.357 . . . . 1.0 112.262 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -151.92 102.03 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.17 156.76 7.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.859 2.373 . . . . 1.0 112.224 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -106.85 149.62 27.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.456 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -86.18 151.76 23.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -75.63 -49.07 19.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.358 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 184' ' ' VAL . 78.6 mm-40 -67.17 -29.44 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.386 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.0 -43.0 81.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.343 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -75.39 -49.8 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.238 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 77.1 t -44.9 -49.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.047 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.68 HG23 ' N ' ' A' ' 185' ' ' GLN . 20.7 m -74.42 -51.32 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.168 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.68 ' N ' HG23 ' A' ' 184' ' ' VAL . 63.8 tt0 -48.04 -33.9 8.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 1.0 109.99 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.4 -42.83 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.966 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.68 -44.15 57.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.821 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.837 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -59.24 -36.97 76.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 109.756 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 1.4 tm0? -68.97 -30.77 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.807 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.2 t -75.82 -48.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.087 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -31.2 39.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.952 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -69.2 -34.85 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.125 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.87 88.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.265 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.245 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.63 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -65.03 -48.02 75.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.332 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.8 -47.58 85.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.194 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.63 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.307 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -55.22 -45.83 75.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.425 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.8 tp -49.03 -37.95 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 9.8 m -51.67 -59.9 3.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.553 179.639 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 tp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.851 0.357 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -52.01 -31.79 31.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.619 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.82 -48.59 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.721 ' O ' HG23 ' A' ' 38' ' ' THR . 21.5 mm -56.7 -51.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.685 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' ' 38' ' ' THR . 91.3 mt -56.4 -33.97 66.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.537 ' O ' HG12 ' A' ' 39' ' ' VAL . 55.0 ttp180 -64.02 -43.27 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.788 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.64 -26.82 60.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.781 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.0 p -68.19 -36.98 80.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.646 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.615 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.13 -24.13 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.719 -178.625 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.714 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.71 -32.94 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.722 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' THR . 52.7 t -63.04 -57.78 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.754 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 ptm180 -47.2 -42.01 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.735 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.43 -47.61 81.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.624 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.28 -42.54 99.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.554 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mt -93.91 -14.56 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.555 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 50.95 25.7 10.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -76.25 142.59 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 1.0 110.607 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -48.58 -44.12 36.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.502 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 54.2 ttt85 -145.66 133.67 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.876 -176.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.16 132.03 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.94 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -137.09 153.16 50.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 1.0 111.22 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.704 HG22 ' CD1' ' A' ' 166' ' ' LEU . 46.0 t -97.34 139.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.863 176.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 165' ' ' LEU . 4.9 t80 -123.14 122.0 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 1.0 111.22 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.38 133.46 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.008 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' A' ' 57' ' ' ASP . 57.9 t80 -96.77 125.81 41.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 1.0 110.871 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 2.7 m-20 -90.44 151.88 44.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.461 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.94 -19.52 62.98 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.846 2.364 . . . . 1.0 112.061 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -90.76 -2.86 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -17.29 56.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 65.6 m80 -74.99 144.35 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 1.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.454 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -130.23 151.75 19.53 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -132.24 155.6 48.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.339 . . . . 1.0 110.517 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.5 t -94.97 111.8 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.668 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.24 -1.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.414 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.615 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.69 129.65 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.678 ' OE1' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -161.79 141.6 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.398 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.68 144.36 47.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.66 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.509 HH21 ' CB ' ' A' ' 76' ' ' SER . 3.5 ptp85 -125.64 141.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.478 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.53 119.0 6.36 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 61.38 39.57 97.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 40.48 21.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 1.0 110.596 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.8 ttm180 -59.84 -44.7 93.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -111.2 146.61 34.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.518 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.72 165.68 31.66 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.846 2.364 . . . . 1.0 112.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.509 ' CB ' HH21 ' A' ' 69' ' ' ARG . 45.5 p -96.11 135.48 37.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.709 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 16.1 mt -106.55 8.02 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.408 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.678 HD13 ' OE1' ' A' ' 67' ' ' GLU . 9.6 tp -52.75 129.41 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -13.58 64.59 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 77' ' ' LEU . 44.9 mt -80.73 141.16 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 1.0 110.565 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -113.22 152.62 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.508 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 18.2 m-85 -113.85 143.45 29.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.463 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.439 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.5 Cg_endo -71.82 146.4 47.95 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.755 2.303 . . . . 1.0 112.052 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -73.3 -38.95 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.801 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -18.05 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG23 ' A' ' 87' ' ' ILE . 33.1 p-10 -63.22 -35.96 82.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 1.0 110.505 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 86' ' ' ASP . 4.5 pt -157.13 139.88 10.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.552 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 90' ' ' GLU . 71.7 Cg_endo -79.05 150.59 23.28 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.905 2.404 . . . . 1.0 112.137 174.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' HA ' HH11 ' A' ' 92' ' ' ARG . 95.9 mt-10 -48.91 -16.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 88' ' ' PRO . 86.4 tt0 -47.08 -50.99 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.588 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -66.19 -28.04 68.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.795 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.438 HH11 ' HA ' ' A' ' 89' ' ' GLU . 79.8 mtt85 -72.93 -28.64 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.404 HH21 ' HG3' ' A' ' 90' ' ' GLU . 63.1 mtm180 -67.94 -49.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.573 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 7.1 mt -55.12 -38.87 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.571 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.499 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 6.9 m-85 -69.28 -22.82 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.71 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -93.91 -22.4 18.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.83 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 18.0 mt -89.04 -46.8 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.174 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.28 -15.79 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.221 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.632 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.3 OUTLIER 44.26 56.45 4.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.864 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.8 m -160.06 123.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.347 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -177.68 130.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.507 177.771 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.505 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 4.0 m -144.13 155.98 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.579 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 143' ' ' LEU . 41.6 mt -105.86 129.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 105' ' ' ASP . 7.9 t -85.04 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.4 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.694 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.8 t0 -51.02 117.03 2.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -51.03 -16.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.2 tt0 -71.87 -37.64 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.396 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.22 -13.7 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 52.93 69.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.741 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.7 m -91.09 120.54 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.269 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -109.32 138.2 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 1.0 110.952 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.828 -0.623 . . . . 1.0 109.862 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.912 0.386 . . . . 1.0 110.638 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.53 142.75 26.67 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.908 2.406 . . . . 1.0 112.329 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 135' ' ' VAL . 21.9 m -116.98 130.11 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.41 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 112' ' ' SER . 11.2 t70 -41.71 138.32 1.74 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.695 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -41.54 -18.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.942 2.428 . . . . 1.0 111.769 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.6 OUTLIER -63.41 -40.15 96.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.561 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.68 -30.07 25.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.119 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.41 -60.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -61.57 -43.65 98.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -45.94 -41.07 11.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.276 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 103' ' ' ILE . 15.3 mt -74.54 -43.96 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.434 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.4 m -63.43 -17.47 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.547 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 24.5 mmm -95.56 -0.04 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.83 21.86 73.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.1 t -109.43 142.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 1.0 110.678 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.07 -42.33 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.207 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.2 p -137.97 122.01 17.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.096 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -130.88 141.37 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 1.0 110.973 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 152' ' ' LEU . 7.8 mp -104.13 135.29 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.044 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.87 125.31 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 1.0 110.998 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.94 114.48 16.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.977 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 165' ' ' LEU . 74.4 Cg_endo -75.02 153.61 41.8 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.007 2.471 . . . . 1.0 112.755 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 48.3 mt -116.59 110.71 18.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.09 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.6 ptm -137.42 162.74 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 1.0 110.712 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 49.0 t-80 -145.86 122.58 11.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.466 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 15.2 t-80 77.18 -115.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.516 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -117.72 -4.1 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.447 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.456 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 15.6 pt-20 -106.03 157.53 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.63 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.02 129.79 55.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.457 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.456 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 16.6 m95 -101.4 -42.25 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.734 -177.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.48 -176.66 35.66 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.4 mp -139.76 142.82 36.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.704 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.4 tp -105.94 155.39 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.124 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.88 137.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 1.0 111.027 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 p -117.42 134.47 54.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.136 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -117.05 136.42 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.964 0.412 . . . . 1.0 111.101 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -135.1 150.26 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.363 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.41 -21.81 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.662 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -113.02 157.5 40.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 174' ' ' ARG . 10.0 Cg_endo -50.15 -71.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.89 2.393 . . . . 1.0 112.222 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 173' ' ' PRO . 44.6 ttt85 50.66 103.1 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 1.0 110.431 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.51 165.95 20.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.829 2.353 . . . . 1.0 112.189 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -107.25 140.04 40.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.461 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 21.9 t -88.59 152.98 21.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.671 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -55.19 -35.5 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.445 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 183' ' ' VAL . 47.1 mp0 -75.35 -47.49 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.444 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 181' ' ' LEU . 1.4 tt -55.5 -56.88 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.289 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -63.89 -48.6 76.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.187 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 179' ' ' GLU . 53.7 t -45.51 -51.27 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.126 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 68.2 t -74.77 -53.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.16 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -48.38 -36.44 14.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 41.3 tp -73.54 -43.38 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.994 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.11 -45.71 64.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.788 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.13 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.767 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.69 -35.54 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.78 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.5 -28.63 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.855 -0.612 . . . . 1.0 109.825 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.87 -49.72 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.127 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.3 p -53.69 -32.54 52.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.019 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 35.1 mt -68.05 -33.04 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.106 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.262 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.4 mt -55.65 -53.23 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.218 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.502 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -63.66 -47.44 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.292 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.84 -46.22 91.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.263 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.42 73.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.271 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -52.73 -41.94 64.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.465 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.56 -35.66 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 25.4 t -54.51 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.852 0.358 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 67.4 t0 -48.88 -32.83 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.42 -48.33 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.643 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mm -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' ' OG1' ' A' ' 38' ' ' THR . 28.6 mt -58.66 -32.05 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.614 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 39' ' ' VAL . 60.9 ttp180 -64.87 -39.83 94.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.744 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.36 -26.55 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.709 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 42' ' ' VAL . 43.6 p -66.6 -38.08 86.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.654 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.632 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -71.91 -24.4 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.753 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.18 -41.51 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.46 -33.51 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.768 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 38' ' ' THR . 34.7 t -64.16 -59.22 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.749 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.691 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ptm180 -47.59 -41.71 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -55.42 -45.03 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.688 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.614 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 184' ' ' VAL . 10.7 mt -94.03 -11.62 30.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.509 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.691 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.91 27.3 20.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.1 142.31 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 1.0 110.618 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 46.0 p-10 -61.88 -31.62 71.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 14.5 ttt180 -144.16 123.5 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.93 -176.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 t -141.67 130.09 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.914 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.583 ' HZ2' ' HB2' ' A' ' 77' ' ' LEU . 43.4 mttt -134.47 151.07 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 1.0 111.211 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 166' ' ' LEU . 59.1 t -98.96 137.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.882 175.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 165' ' ' LEU . 20.9 t80 -118.17 117.17 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.427 . . . . 1.0 111.204 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -97.34 137.79 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.973 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' NH2' ' A' ' 92' ' ' ARG . 0.3 OUTLIER -100.52 137.92 38.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 1.0 110.938 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.5 m-20 -101.04 151.79 37.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.494 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -41.6 -45.84 6.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.781 2.321 . . . . 1.0 112.105 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.8 -8.42 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -9.25 50.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' ASP . 74.2 m80 -75.7 149.19 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 1.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.424 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.99 159.37 23.94 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -135.96 159.74 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 1.0 110.581 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.1 t -88.68 106.11 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -104.01 -5.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.4 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.632 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.01 124.18 6.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -156.36 139.63 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.487 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.48 142.51 45.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.656 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -125.33 142.95 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.642 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.32 140.01 14.67 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.19 36.43 1.31 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 48.6 mp0 41.34 20.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.667 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 71' ' ' GLY . 19.6 tpt180 -57.25 -43.92 83.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.581 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.58 148.13 37.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.53 160.32 50.21 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.786 2.324 . . . . 1.0 112.084 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -95.08 117.28 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 37.8 mt -95.88 14.35 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.413 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.73 136.5 57.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.0 -7.51 80.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 77' ' ' LEU . 77.8 mt -87.02 146.95 25.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 1.0 110.62 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 t -107.11 137.83 44.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.381 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -105.38 140.46 21.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -71.68 143.19 41.39 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.786 2.324 . . . . 1.0 112.137 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.45 89.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.824 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.9 -19.01 3.15 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.54 -25.89 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 39.7 mt -116.62 94.82 44.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.574 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 98.5 Cg_exo -41.41 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.836 2.357 . . . . 1.0 112.125 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 44.1 tp10 -161.27 -50.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -49.57 -44.36 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.633 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.45 76.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' NH2' ' CD2' ' A' ' 56' ' ' PHE . 76.5 ttt180 -65.43 -33.18 75.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.63 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -63.72 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.611 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 10.0 mt -59.14 -36.39 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 68.3 m-85 -67.83 -30.64 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.718 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -93.34 -22.19 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.831 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.581 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 34.9 mt -91.46 -49.64 6.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.196 -175.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -12.98 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.209 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.627 ' O ' HG13 ' A' ' 100' ' ' VAL . 6.2 mp0 44.84 56.94 4.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.831 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.7 m -160.31 122.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.397 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -172.6 133.36 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.522 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.2 p -144.77 155.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.6 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.431 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 53.0 mt -109.31 129.25 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.628 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.722 HG22 ' H ' ' A' ' 105' ' ' ASP . 5.4 p -86.33 174.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.408 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.722 ' H ' HG22 ' A' ' 104' ' ' VAL . 66.1 t0 -51.57 116.32 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 106' ' ' VAL . 37.5 t -50.71 -13.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 105' ' ' ASP . 42.3 tp10 -76.94 -35.23 57.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.446 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.29 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 53.81 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.76 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -95.44 123.39 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.257 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -112.12 141.18 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.99 0.424 . . . . 1.0 110.957 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.876 177.625 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.945 0.402 . . . . 1.0 110.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 138.74 17.56 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.961 2.44 . . . . 1.0 112.256 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' ASP . 14.9 m -121.37 133.18 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.35 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.4 OUTLIER -38.83 140.57 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.712 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.05 -33.63 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.997 2.465 . . . . 1.0 111.71 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -59.94 -32.0 70.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.546 -178.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.443 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 2.4 t60 -86.87 -32.02 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.178 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.18 -53.35 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.45 -44.23 96.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -45.5 -42.99 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.335 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.57 -42.72 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.508 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -55.53 -44.65 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.577 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.6 m -63.78 -17.29 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.2 mmm -95.21 -3.21 48.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.7 21.09 69.7 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.14 139.24 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 1.0 110.686 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.08 -53.77 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.252 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.7 p -129.59 114.56 16.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.6 p -130.84 144.34 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 1.0 110.992 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.73 133.95 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.05 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.25 128.85 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.082 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 37.0 t -133.2 123.86 18.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 1.0 109.987 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.98 150.74 18.23 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.916 2.41 . . . . 1.0 112.773 -175.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.9 mt -115.22 108.19 16.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.161 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.8 ptm -137.02 154.67 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 1.0 110.695 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.58 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 67.9 t60 -135.79 123.03 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.448 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 19.5 t-80 78.34 -116.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.59 -3.75 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.449 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -106.38 158.81 16.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.627 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 28.9 tp -106.53 128.56 54.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.475 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -99.11 -41.59 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.7 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.59 -176.8 32.06 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -137.28 134.16 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.812 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -104.21 152.6 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.131 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -161.52 139.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 1.0 111.043 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.6 p -118.49 133.78 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.171 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.459 ' ND1' ' NE ' ' A' ' 50' ' ' ARG . 25.9 m80 -109.74 134.31 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 1.0 111.047 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.45 130.08 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.372 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.26 35.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.626 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -157.67 149.59 17.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.538 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 174' ' ' ARG . 37.9 Cg_endo -67.31 -4.45 11.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.794 2.329 . . . . 1.0 112.187 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 173' ' ' PRO . 50.8 ttt85 -34.82 99.66 0.17 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.367 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 173' ' ' PRO . 50.7 Cg_exo -54.79 163.17 4.22 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.801 2.334 . . . . 1.0 112.228 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.92 146.27 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.389 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.5 m -87.73 151.15 23.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.53 -25.12 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.48 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 183' ' ' VAL . 96.2 mt-10 -70.41 -56.26 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.409 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 184' ' ' VAL . 96.7 mt-10 -67.28 -26.73 66.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 56.8 tp -54.26 -51.65 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.309 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.33 -54.78 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.258 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 179' ' ' GLU . 65.4 t -43.8 -41.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.1 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 180' ' ' GLU . 97.4 t -75.63 -50.17 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.15 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -48.99 -36.89 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.894 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.9 -44.3 61.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.982 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 191' ' ' VAL . 61.0 tp -50.22 -45.09 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.809 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.33 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.731 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -61.46 -37.98 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.789 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -68.07 -31.08 70.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.842 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 187' ' ' LEU . 67.4 t -75.72 -49.16 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.04 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 22.4 p -52.83 -30.58 34.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.989 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.5 mt -68.53 -35.57 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.133 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.39 87.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.298 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.6 mt -54.77 -54.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.225 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.58 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.46 -48.4 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.247 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.86 -47.54 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.254 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.02 -34.52 78.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.337 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.29 -40.04 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.22 -31.13 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.385 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -53.86 -59.9 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.487 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.519 179.704 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -53.02 -32.12 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -77.99 -47.37 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.643 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 38' ' ' THR . 20.9 mm -57.65 -51.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.602 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' ' 38' ' ' THR . 85.4 mt -57.58 -37.35 73.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' HG12 ' A' ' 39' ' ' VAL . 74.7 mtt-85 -63.26 -42.89 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.793 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.59 -26.45 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.735 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 34' ' ' ILE . 79.2 p -70.44 -37.69 74.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.709 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.709 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -72.18 -24.36 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.705 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.61 -45.51 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.44 -37.38 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 38' ' ' THR . 55.2 t -57.48 -53.66 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.722 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 47' ' ' GLY . 67.1 ttp85 -51.82 -44.46 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.682 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.19 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.646 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.33 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.3 -14.22 25.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.476 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.739 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.64 25.0 4.41 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -178.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 5.4 t -75.95 145.19 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 1.0 110.606 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 92.8 m-20 -39.95 -51.34 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.619 HH21 ' CG2' ' A' ' 148' ' ' VAL . 27.6 ptt180 -152.51 147.95 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.894 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 p -145.75 135.58 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.928 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HZ1' ' NH1' ' A' ' 50' ' ' ARG . 28.6 mttp -134.9 149.56 50.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 1.0 111.19 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.72 HG22 ' CD1' ' A' ' 166' ' ' LEU . 46.5 t -99.34 138.24 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.881 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.8 t80 -117.18 114.49 23.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.009 0.433 . . . . 1.0 111.179 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -93.75 136.16 34.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.997 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -100.87 139.35 36.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.888 0.375 . . . . 1.0 110.885 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.4 m-20 -101.74 151.05 37.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.473 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -41.72 -45.43 6.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 1.0 112.062 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.51 -7.7 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.04 55.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.2 m80 -74.2 147.3 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 1.0 110.606 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.68 159.91 24.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 p -137.07 161.04 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 1.0 110.566 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -90.37 107.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.654 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.06 -3.41 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.431 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.709 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.99 127.1 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -161.87 141.66 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.499 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.38 136.69 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.625 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -111.47 139.56 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.591 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.83 130.3 10.24 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.36 41.47 5.18 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 40.76 18.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 1.0 110.557 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 71' ' ' GLY . 96.5 mtt180 -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.528 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 73' ' ' ARG . 8.5 mp -117.45 153.94 50.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.582 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.53 168.15 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.765 2.31 . . . . 1.0 112.087 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -98.35 146.42 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 80' ' ' LEU . 22.6 mt -114.8 15.45 17.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.85 133.67 53.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.517 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.85 71.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 77' ' ' LEU . 74.8 mt -82.82 143.03 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 1.0 110.504 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 81' ' ' THR . 14.1 t -103.89 132.31 50.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.463 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.9 112.47 63.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.444 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -45.39 147.41 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.753 2.302 . . . . 1.0 112.108 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.65 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.76 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.56 -20.5 7.65 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.82 -6.18 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 110.509 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.88 131.97 20.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.614 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.07 -113.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.896 2.397 . . . . 1.0 112.09 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -164.85 -49.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.574 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -49.22 -45.83 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.67 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.23 75.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.454 ' NH1' ' CE2' ' A' ' 56' ' ' PHE . 31.5 ttp180 -64.32 -32.57 74.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.7 mtm180 -63.92 -39.05 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.573 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.437 ' HB3' HH11 ' A' ' 101' ' ' ARG . 13.8 mt -58.06 -36.76 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.557 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 75.1 m-85 -68.01 -29.98 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.702 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -93.32 -22.25 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.809 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 97' ' ' LEU . 41.2 mt -90.74 -50.03 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.2 -175.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.8 -8.94 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.158 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.408 ' OE1' ' C ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER 41.81 57.26 3.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.874 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.1 p -160.97 120.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -165.72 132.1 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.481 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.77 152.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.2 126.89 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.624 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.4 p -84.84 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.459 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.679 ' H ' HG22 ' A' ' 104' ' ' VAL . 40.9 m-20 -52.26 115.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.554 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -49.74 -14.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.3 tt0 -73.44 -36.41 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.411 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.17 -15.09 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.517 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 53.61 67.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.713 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.0 p -97.27 124.69 41.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.211 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -113.66 143.0 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 111.046 -176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.657 ' HG ' ' HA ' ' A' ' 135' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.864 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.877 0.37 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.448 ' O ' ' OG ' ' A' ' 112' ' ' SER . 50.8 Cg_exo -51.14 139.96 41.96 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.934 2.422 . . . . 1.0 112.272 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.657 ' HA ' ' HG ' ' A' ' 112' ' ' SER . 11.4 m -113.84 127.32 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -37.99 151.31 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.751 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.12 -27.62 75.12 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.964 2.443 . . . . 1.0 111.764 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.6 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.458 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 13.4 t60 -86.84 -26.53 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.138 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 56.5 t -57.57 -54.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.31 -44.79 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -47.47 -45.78 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.3 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.98 -46.65 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.436 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.13 -44.7 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.538 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -63.29 -17.14 62.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.1 mmm -96.4 -2.25 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.472 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.5 67.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.619 ' CG2' HH21 ' A' ' 50' ' ' ARG . 69.0 t -104.69 137.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 1.0 110.66 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.34 -56.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.181 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.9 t -130.97 114.13 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.093 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.422 ' OG ' ' CG1' ' A' ' 148' ' ' VAL . 45.8 m -130.46 144.67 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.386 . . . . 1.0 110.986 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.34 132.18 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.086 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.63 128.22 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 1.0 111.004 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.85 117.66 16.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.99 156.07 34.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.954 2.436 . . . . 1.0 112.815 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.4 HD23 ' OG ' ' A' ' 192' ' ' SER . 25.3 mt -120.04 111.69 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.202 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.1 ptm -133.6 152.97 52.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 1.0 110.69 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 79.0 t60 -132.37 122.18 24.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.513 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.526 ' ND1' ' N ' ' A' ' 160' ' ' GLN . 41.3 t-80 74.41 -113.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.515 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.526 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 14.3 pt20 -117.02 -5.81 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.465 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 163' ' ' TRP . 10.2 pt-20 -106.14 161.71 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.633 -176.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.7 tp -108.97 130.07 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.417 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 161' ' ' GLU . 74.1 m95 -101.01 -41.68 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.685 -178.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.84 -175.65 34.09 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.171 -0.772 . . . . 1.0 111.171 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 mp -139.42 144.16 37.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 1.0 110.672 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.72 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.9 tp -109.34 154.76 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.178 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.77 140.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 111.054 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.6 m -119.1 131.41 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.134 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.503 ' O ' ' OG1' ' A' ' 48' ' ' THR . 23.5 m80 -106.66 133.78 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.029 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -125.94 126.83 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.394 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.429 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -86.48 22.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.602 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 66.5 mm-40 -152.48 151.1 26.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.582 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.28 132.95 27.06 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.839 2.359 . . . . 1.0 112.232 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -172.61 96.66 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.388 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.6 163.72 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.882 2.388 . . . . 1.0 112.177 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.71 148.58 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 181' ' ' LEU . 49.5 m -103.88 151.18 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.605 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.93 -40.71 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.438 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' A' ' 179' ' ' GLU . 47.9 mp0 -64.41 -55.82 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.442 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.44 -36.54 81.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.38 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 177' ' ' SER . 47.5 tp -62.11 -37.88 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.308 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -69.97 -52.52 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.234 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 71.4 t -44.44 -44.61 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.085 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.63 -50.39 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.164 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -47.89 -34.55 9.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.926 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.82 -43.74 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.949 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.3 tp -51.29 -45.24 62.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.846 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.58 98.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.789 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -60.76 -36.64 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.708 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.865 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.53 -48.4 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.069 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.4 ' OG ' HD23 ' A' ' 156' ' ' LEU . 1.3 m -50.95 -28.37 9.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.958 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.58 -33.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.124 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.95 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 196' ' ' ALA . 14.5 pt -67.61 -26.93 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.185 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -76.53 -54.58 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.19 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -36.57 82.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.276 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.21 76.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.308 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -53.04 -42.34 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.473 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 46.5 mt -48.43 -35.82 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -49.88 -59.51 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.467 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.522 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.7 -30.9 34.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -77.19 -48.89 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 38' ' ' THR . 21.4 mm -57.42 -51.19 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.536 ' O ' ' OG1' ' A' ' 38' ' ' THR . 78.1 mt -57.33 -32.12 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.595 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.609 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.9 ttp180 -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.746 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.91 59.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.717 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 34' ' ' ILE . 61.4 p -66.79 -36.87 83.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.669 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.7 p -71.12 -25.14 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.715 -179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 77.6 mm-40 -69.98 -37.57 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.725 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -78.99 -40.73 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 38' ' ' THR . 44.4 t -53.8 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.768 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 18.6 ptt180 -49.82 -43.4 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.742 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.51 -48.78 78.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.655 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.93 -42.83 99.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -93.89 -12.25 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.493 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.21 26.3 12.89 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 ' CE1' ' A' ' 170' ' ' HIS . 33.0 m -75.43 140.0 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 1.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -53.58 -41.18 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.485 -177.189 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.695 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 16.0 ttt-85 -144.12 130.53 19.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.92 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.8 p -148.85 134.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.94 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 2.6 pttt -138.52 157.29 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.058 0.456 . . . . 1.0 111.188 -177.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 166' ' ' LEU . 76.7 t -99.25 139.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.916 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 165' ' ' LEU . 14.7 t80 -121.15 121.11 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 1.0 111.194 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -98.64 139.04 34.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.024 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 135.29 42.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 1.0 110.945 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' HIS . 3.9 m-20 -98.43 151.99 37.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.5 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.73 -45.01 6.66 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.884 2.389 . . . . 1.0 112.02 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.2 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 105.64 -8.08 43.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.574 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.5 m80 -77.2 149.5 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 1.0 110.61 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.41 162.06 25.37 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -136.42 159.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 80' ' ' LEU . 9.8 p -94.29 110.47 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.604 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -110.1 -0.74 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.657 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.14 129.34 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.549 -178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE2' ' N ' ' A' ' 78' ' ' LEU . 9.5 pt-20 -164.94 143.52 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.441 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HH11 ' A' ' 43' ' ' ARG . . . -134.53 144.83 48.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.677 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -111.52 135.12 52.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.56 117.8 4.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.77 40.84 34.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 41.99 41.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 1.0 110.679 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -81.16 -47.18 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.489 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 135.05 19.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.8 162.04 1.17 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.821 2.347 . . . . 1.0 112.057 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.44 ' HA ' HH21 ' A' ' 50' ' ' ARG . 22.4 p -90.27 127.1 36.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.624 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.695 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 33.0 mt -106.02 10.48 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.446 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.539 ' N ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 tp -59.25 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.474 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.552 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 89.23 -7.1 82.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 64' ' ' VAL . 83.6 mt -85.76 140.17 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 1.0 110.52 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -104.99 139.82 39.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.482 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -109.41 139.43 21.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.459 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.518 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 38.2 Cg_endo -73.15 148.04 43.68 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.761 2.308 . . . . 1.0 112.184 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' O ' ' OD1' ' A' ' 86' ' ' ASP . . . -72.38 -33.11 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.46 -16.27 0.32 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.518 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 21.1 p-10 -63.01 -11.97 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 1.0 110.494 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 pt -149.08 106.12 3.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.517 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 93.7 Cg_exo -41.58 -86.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.875 2.384 . . . . 1.0 112.163 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.6 tt0 -173.54 -23.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.525 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.76 -46.45 65.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.55 77.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.764 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -62.86 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.705 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -63.33 -37.7 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.38 -37.05 76.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.589 -178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.465 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 84.4 m-85 -66.77 -30.19 70.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.681 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.662 ' C ' HE22 ' A' ' 99' ' ' GLN . 61.0 mtp180 -89.56 -23.9 21.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.6 mt -97.14 -50.84 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.219 -176.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.67 -13.89 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.226 -174.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.662 HE22 ' C ' ' A' ' 96' ' ' ARG . 11.5 mp0 42.67 55.71 4.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.788 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 100' ' ' VAL . 14.6 p -160.72 123.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.391 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -170.43 128.89 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.485 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.0 153.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.62 129.12 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.626 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.669 HG12 ' H ' ' A' ' 105' ' ' ASP . 8.2 t -85.68 172.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.474 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.669 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.5 t0 -52.29 117.52 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.542 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.569 HG23 ' CG1' ' A' ' 140' ' ' VAL . 14.1 p -48.9 -15.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.8 tt0 -74.53 -37.7 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.441 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.49 56.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.49 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 54.28 66.7 1.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.711 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.5 m -90.93 124.28 35.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.261 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -109.87 136.35 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.407 . . . . 1.0 111.023 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.937 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.884 0.373 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.94 140.9 18.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.901 2.401 . . . . 1.0 112.34 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 136' ' ' ASP . 3.7 m -116.99 129.25 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.381 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.8 OUTLIER -38.95 140.69 0.66 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.75 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.15 -41.73 16.48 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.96 2.44 . . . . 1.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -53.56 -32.05 49.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.595 -178.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.423 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 16.9 t-80 -86.97 -29.6 21.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.143 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.569 ' CG1' HG23 ' A' ' 106' ' ' VAL . 93.3 t -59.53 -48.82 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.233 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -64.81 -45.07 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -44.52 -40.57 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.303 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.79 -40.6 47.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.447 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -58.94 -44.6 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.509 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.6 t -61.99 -15.51 44.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.639 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.28 4.2 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.02 22.54 73.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.9 t -108.93 143.21 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 1.0 110.635 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.28 -33.19 5.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.19 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 p -148.09 120.22 8.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.089 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 p -130.47 142.95 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.976 0.417 . . . . 1.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.8 tt -108.08 134.27 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.067 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.463 HG21 HH12 ' A' ' 101' ' ' ARG . 7.0 t -110.65 129.18 66.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 1.0 110.99 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.13 115.33 17.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.005 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 153.2 41.45 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.974 2.449 . . . . 1.0 112.768 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.2 mt -119.07 110.6 17.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.112 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.629 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 17.9 ptm -137.0 159.63 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 1.0 110.72 -176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.577 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 54.8 t60 -141.14 123.32 15.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.487 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.4 t60 76.43 -114.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.448 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -117.36 -5.76 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.465 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -105.48 158.41 16.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.566 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.405 HD21 HD21 ' A' ' 165' ' ' LEU . 25.3 tp -106.1 128.97 54.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.425 177.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -100.26 -45.53 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.631 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.93 -177.84 33.38 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 54' ' ' TYR . 30.6 mt -135.33 152.43 51.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 1.0 110.681 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.6 tp -119.04 151.38 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.228 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.2 p -160.44 138.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 1.0 111.075 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.94 141.11 48.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.168 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.482 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.1 m80 -112.23 129.09 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 1.0 111.043 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.509 ' CE1' HG23 ' A' ' 48' ' ' THR . 73.5 m80 -124.47 121.99 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.39 178.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.66 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.601 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -133.85 150.47 74.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -41.27 137.12 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.857 2.371 . . . . 1.0 112.142 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -153.78 75.91 6.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -55.63 152.35 34.58 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.844 2.362 . . . . 1.0 112.15 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -109.62 143.88 38.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.397 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.5 t -83.08 152.34 25.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.11 -34.98 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -78.13 -54.64 6.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.05 -35.24 78.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.384 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.3 tp -51.62 -50.94 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.297 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -66.52 -47.82 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.209 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 66.6 t -43.36 -45.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.048 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.15 -50.68 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.171 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -48.7 -35.69 14.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.903 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.7 -45.06 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.9 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 58.6 tp -50.7 -45.11 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.742 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.801 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -59.5 -38.71 81.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.741 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -68.37 -30.55 69.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.828 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.6 -49.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.028 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 157' ' ' MET . 20.4 p -53.89 -32.2 52.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.977 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.91 -35.22 71.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.176 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.15 85.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.229 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.7 -52.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.185 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.577 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.15 -47.52 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.183 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.63 -47.16 87.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.335 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -52.27 -41.86 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.433 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.4 mt -48.5 -37.24 17.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 32.8 t -51.79 -60.69 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 202' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.999 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 1.0 110.582 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.06 -32.29 33.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.564 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -73.4 -48.87 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.654 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 38' ' ' THR . 5.0 mm -56.22 -45.98 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.604 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.2 mt -56.34 -32.79 65.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.565 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.1 ttm180 -61.12 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.79 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.06 59.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.793 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 34' ' ' ILE . 77.6 p -69.17 -36.21 77.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.682 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.641 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -68.32 -26.75 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.714 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.3 -36.53 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.744 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 45' ' ' PHE . 9.3 tm-20 -75.54 -54.02 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.683 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 43' ' ' ARG . 28.4 m -53.49 -49.5 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.733 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.64 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.2 ttt-85 -49.75 -44.81 48.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.63 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.09 -40.3 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.613 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.525 ' CE1' ' OE2' ' A' ' 41' ' ' GLU . 10.1 m-85 -67.3 -36.7 82.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.549 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.23 -11.87 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.499 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.16 28.67 3.17 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 1.2 p -77.74 144.72 36.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 1.0 110.622 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -51.35 -42.25 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.741 HH12 ' HZ1' ' A' ' 52' ' ' LYS . 63.2 ttt-85 -143.54 131.67 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.84 -175.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 11.4 t -140.84 131.51 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.944 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.741 ' HZ1' HH12 ' A' ' 50' ' ' ARG . 14.8 pttm -136.53 150.84 48.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 1.0 111.233 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.571 HG22 ' CD1' ' A' ' 166' ' ' LEU . 48.4 t -98.88 138.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 1.0 109.89 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 165' ' ' LEU . 12.2 t80 -122.54 123.8 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.251 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -103.01 141.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 1.0 109.989 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -103.24 137.96 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.901 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 61' ' ' HIS . 42.1 m-20 -95.87 151.74 38.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.516 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.13 -20.34 18.71 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.836 2.357 . . . . 1.0 112.079 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -92.6 -1.95 56.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.575 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -14.99 58.86 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 57' ' ' ASP . 50.3 m80 -75.05 145.14 42.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 1.0 110.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.78 155.72 21.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 81' ' ' THR . 4.4 p -134.4 157.79 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 1.0 110.55 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.62 110.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.647 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.11 -2.43 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.406 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.79 127.15 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.531 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HG3' HH21 ' A' ' 50' ' ' ARG . 14.0 tm-20 -158.51 139.11 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.44 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.88 45.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.623 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -120.54 141.14 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.4 134.02 11.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.77 39.36 4.77 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 40.07 22.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 1.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' GLY . 75.9 ttt-85 -61.69 -46.3 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.98 148.26 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.25 157.49 59.25 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.755 2.303 . . . . 1.0 112.062 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -91.19 115.42 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -96.32 9.92 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.425 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.79 136.1 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.51 -8.94 75.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 mt -85.8 145.24 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 1.0 110.492 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 63' ' ' THR . 73.2 p -110.55 146.31 36.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.32 142.66 29.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.471 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.06 140.29 37.5 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.725 2.284 . . . . 1.0 112.163 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.78 80.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.742 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -49.16 -17.65 1.06 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -57.21 -7.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 1.0 110.486 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.42 ' H ' ' C ' ' A' ' 85' ' ' GLY . 16.0 pt -152.28 149.04 22.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.531 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.04 -94.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.874 2.383 . . . . 1.0 112.108 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -170.1 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.629 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -55.39 -43.12 74.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -42.57 65.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.812 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.98 -33.51 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.675 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -63.16 -34.52 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.74 -33.56 73.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.513 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.492 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 26.0 m-85 -70.6 -34.41 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.731 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.695 HH12 ' H ' ' A' ' 162' ' ' LEU . 21.6 mtp85 -86.68 -20.26 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 97' ' ' LEU . 96.2 mt -101.77 -49.83 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.175 -176.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.08 -16.55 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.231 -173.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.578 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 1.3 mp0 43.39 54.8 5.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.864 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.5 t -153.08 123.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.419 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 10.1 tpp180 -157.35 124.6 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 133' ' ' ARG . 47.1 t -147.09 146.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.61 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 103' ' ' ILE . 4.0 mp -112.4 126.78 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.614 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 105' ' ' ASP . 1.9 t -84.66 172.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.466 -177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.577 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.6 t0 -52.77 117.12 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.541 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 140' ' ' VAL . 20.0 t -49.67 -17.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.535 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.8 tp10 -73.23 -38.77 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.491 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.87 58.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.496 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.92 65.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.728 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 p -91.04 124.48 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.197 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -110.34 136.51 49.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 1.0 110.995 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.453 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.889 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' VAL . 19.7 mmm180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.931 0.396 . . . . 1.0 110.561 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.77 141.43 17.14 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.918 2.412 . . . . 1.0 112.311 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.45 129.9 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.454 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.7 OUTLIER -41.76 151.11 0.33 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.762 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -46.32 -19.16 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.922 2.415 . . . . 1.0 111.764 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -40.89 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.09 -23.33 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.175 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 106' ' ' VAL . 72.9 t -60.52 -57.99 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.172 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -66.26 -48.08 71.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.23 -42.75 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.307 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.99 -44.89 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.445 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -58.08 -45.84 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.569 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.0 m -63.43 -17.03 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.584 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 22.6 mmm -97.26 0.29 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.95 21.6 73.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.447 HG21 ' HD1' ' A' ' 169' ' ' HIS . 24.3 t -110.34 143.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 1.0 110.646 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -113.01 -43.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.232 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 p -136.65 120.95 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.4 p -128.97 140.31 51.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.992 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' A' ' 176' ' ' TYR . 5.0 tt -102.24 132.86 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.133 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.52 HG22 HG23 ' A' ' 167' ' ' VAL . 66.5 t -112.77 129.49 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 1.0 111.012 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.4 121.29 18.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.009 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.2 145.53 24.41 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.943 2.429 . . . . 1.0 112.723 -175.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.96 107.99 17.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.183 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 13.3 ptm -136.99 161.46 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 1.0 110.719 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 64.5 t60 -134.17 123.34 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.587 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 75.4 t60 64.25 -105.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.46 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -117.49 -5.34 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.405 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -102.81 151.33 22.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.613 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.695 ' H ' HH12 ' A' ' 96' ' ' ARG . 23.1 tp -104.72 126.96 52.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.505 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -99.95 -43.54 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.671 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.43 -177.21 31.31 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.193 -0.763 . . . . 1.0 111.193 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.31 133.89 33.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.688 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.571 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.3 tp -100.76 151.97 21.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.167 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.52 HG23 HG22 ' A' ' 153' ' ' VAL . 12.6 p -158.33 134.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 1.0 111.05 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -117.52 134.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.156 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.447 ' HD1' HG21 ' A' ' 148' ' ' VAL . 47.0 m-70 -109.73 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.004 -177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.439 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.8 t-80 -128.98 133.89 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.304 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -70.22 -23.54 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.58 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.92 151.91 55.56 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.585 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.92 -66.82 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.811 2.34 . . . . 1.0 112.217 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.34 74.42 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.78 162.16 7.14 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.816 2.344 . . . . 1.0 112.219 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.461 ' CE1' HD12 ' A' ' 152' ' ' LEU . 95.1 m-85 -112.12 141.87 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.4 p -84.99 152.9 23.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.654 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -55.08 -35.83 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.403 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 183' ' ' VAL . 85.1 tt0 -74.87 -48.85 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.403 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.43 -36.33 82.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.379 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 181' ' ' LEU . 2.5 tt -51.37 -57.67 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.271 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.85 -47.82 84.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.241 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 179' ' ' GLU . 54.9 t -45.25 -49.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.068 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.18 -52.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.153 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.69 -37.23 18.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.917 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.2 -43.58 61.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.414 HD21 HG12 ' A' ' 42' ' ' VAL . 59.9 tp -51.52 -45.31 62.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.83 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.94 97.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.762 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -59.67 -36.54 76.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.74 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.766 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.99 -49.39 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.117 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -33.3 54.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.991 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.4 mt -67.56 -32.92 59.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.136 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.36 84.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.221 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 6.9 mt -61.82 -34.17 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.227 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.583 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -74.29 -54.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.327 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.475 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.6 pt20 -62.91 -39.47 94.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.252 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.48 -33.79 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.312 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -53.0 -43.49 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.442 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.12 -27.85 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.415 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 94.9 p -54.62 -59.15 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.603 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD22 HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.512 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.38 -31.22 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -76.74 -46.59 24.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 38' ' ' THR . 26.0 mm -56.39 -50.13 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.579 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' O ' ' OG1' ' A' ' 38' ' ' THR . 89.3 mt -56.19 -35.95 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.602 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.591 ' O ' HG12 ' A' ' 39' ' ' VAL . 55.6 ttp180 -61.62 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.816 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -27.21 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.763 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 34' ' ' ILE . 75.5 p -68.02 -37.52 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.642 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.686 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 2.3 p -71.44 -24.82 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.72 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' OE1' ' NH2' ' A' ' 43' ' ' ARG . 72.6 mm-40 -75.14 -45.91 37.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -71.03 -39.65 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 38' ' ' THR . 44.8 t -57.39 -54.62 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.747 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -48.6 -43.52 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.687 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.9 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.654 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.95 -43.15 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.542 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -94.1 -11.61 30.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.515 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.12 25.83 4.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 62.0 m -75.0 141.72 43.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 1.0 110.595 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.95 -42.11 59.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.533 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.571 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 42.1 ttt85 -144.87 131.44 19.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.872 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.3 p -144.2 131.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.968 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -137.17 153.05 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 1.0 111.228 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.552 HG22 ' CD1' ' A' ' 166' ' ' LEU . 48.0 t -100.66 139.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.926 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.458 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.7 t80 -126.75 127.83 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 1.0 111.25 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 41.0 ptt180 -106.95 147.67 29.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.981 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.19 142.11 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.016 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.3 m-20 -101.1 152.52 37.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.437 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -41.08 -45.85 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.806 2.337 . . . . 1.0 112.082 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.71 -12.69 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 107.59 -7.14 36.3 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.0 m80 -74.75 145.72 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 1.0 110.512 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -131.22 155.27 21.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 10.6 p -134.46 157.13 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -92.44 110.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.606 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 65' ' ' VAL . 46.0 t -106.84 -2.01 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.434 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.686 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.72 123.5 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.525 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -155.49 139.68 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.434 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB1' ' NH2' ' A' ' 43' ' ' ARG . . . -135.28 143.18 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.653 178.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -130.56 144.78 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.638 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.67 141.13 15.34 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 44.13 36.15 3.88 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 40.98 21.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.0 110.601 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.2 tpm_? -59.9 -41.99 92.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.578 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.34 120.42 41.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.541 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.1 Cg_exo -49.68 161.69 0.79 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.763 2.309 . . . . 1.0 111.978 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.447 ' HA ' HH22 ' A' ' 50' ' ' ARG . 29.5 t -88.36 119.63 28.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.709 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 23.6 mt -98.08 4.39 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.493 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.07 135.73 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 -8.89 78.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 80' ' ' LEU . 73.6 mt -85.41 144.6 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 1.0 110.52 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.9 t -112.54 148.95 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.5 m-85 -117.26 149.37 44.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.428 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -78.24 147.54 23.34 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.718 2.278 . . . . 1.0 112.062 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.75 72.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.02 -19.38 1.46 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -66.84 -27.97 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 1.0 110.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 mt -131.67 91.41 33.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.444 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 65.3 Cg_exo -34.63 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.914 2.409 . . . . 1.0 112.065 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.8 tt0 -172.17 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.535 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -52.78 -44.89 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.684 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.5 -37.54 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.842 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -63.41 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.69 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.457 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 91.3 mtt-85 -65.18 -38.08 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.568 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -36.63 71.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.588 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 80.8 m-85 -69.98 -33.42 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.751 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.645 ' C ' HE22 ' A' ' 99' ' ' GLN . 58.4 ttp180 -88.68 -24.48 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.868 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 93' ' ' ARG . 90.1 mt -97.07 -49.43 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 -176.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.16 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.667 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 11.3 mp0 41.72 55.41 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.789 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 100' ' ' VAL . 10.7 p -162.25 124.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.437 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' A' ' 101' ' ' ARG . 0.0 OUTLIER -170.36 131.23 0.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.495 178.506 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.4 t -144.51 153.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.479 HD13 HD11 ' A' ' 143' ' ' LEU . 70.7 mt -110.6 128.97 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.618 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 105' ' ' ASP . 17.3 t -85.71 173.05 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.427 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.678 ' H ' HG12 ' A' ' 104' ' ' VAL . 35.5 m-20 -50.22 117.63 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.58 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 106' ' ' VAL . 26.7 t -50.58 -11.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.586 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 109' ' ' GLN . 48.5 tp10 -70.65 -38.57 73.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.41 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.37 0.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.497 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 13.6 pt20 37.44 71.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.762 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.6 p -92.59 123.63 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.235 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -112.52 139.84 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.977 0.417 . . . . 1.0 111.001 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.572 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.9 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.87 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.904 0.383 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.79 139.91 16.0 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.965 2.443 . . . . 1.0 112.257 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 135' ' ' VAL . 15.7 m -117.38 132.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.409 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.572 ' N ' ' OG ' ' A' ' 112' ' ' SER . 5.7 t0 -41.87 144.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.441 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 8.4 Cg_endo -49.97 -11.88 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.943 2.429 . . . . 1.0 111.817 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.45 -40.26 73.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -84.1 -30.92 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.195 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.47 -63.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.198 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -58.22 -41.34 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.385 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -48.63 -44.11 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.249 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 103' ' ' ILE . 11.4 mt -72.33 -47.08 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.539 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -55.98 -44.12 78.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.8 p -64.78 -17.68 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmm -95.77 -1.87 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.489 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.62 23.37 64.9 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.4 t -112.93 143.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 1.0 110.703 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.71 -45.49 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.194 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.2 p -131.67 118.25 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.054 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.5 t -129.47 141.13 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.9 0.381 . . . . 1.0 111.011 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -99.51 134.35 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.086 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.2 126.36 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 1.0 111.017 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.82 118.25 16.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.012 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.74 155.9 31.21 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.994 2.462 . . . . 1.0 112.767 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.9 mt -120.29 111.81 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.103 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.667 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 15.4 ptm -133.46 157.58 45.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 1.0 110.648 -175.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.62 ' NE2' ' CE1' ' A' ' 159' ' ' HIS . 57.8 t60 -135.43 123.82 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.558 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.62 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 27.7 m-70 70.67 -110.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.505 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -118.15 -4.76 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.458 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.427 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 12.6 pt-20 -106.61 161.7 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.662 -176.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.42 129.14 55.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.464 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.427 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 46.3 m95 -102.09 -44.09 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.659 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -157.72 -176.94 30.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.22 -0.752 . . . . 1.0 111.22 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 tt -142.05 140.25 32.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 1.0 110.678 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.0 tp -104.81 153.49 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.152 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.4 p -158.45 135.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 1.0 111.015 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 133.63 55.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.127 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.518 ' O ' ' CG2' ' A' ' 48' ' ' THR . 32.0 m-70 -108.56 129.08 55.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 1.0 111.077 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -124.45 126.78 46.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.374 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -84.26 32.7 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.613 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 25.1 mt-10 -160.7 142.93 9.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.53 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 174' ' ' ARG . 88.3 Cg_exo -41.57 -78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.778 2.319 . . . . 1.0 112.215 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 173' ' ' PRO . 0.0 OUTLIER 35.34 89.01 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.324 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.41 172.72 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 1.0 112.264 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -109.77 142.62 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.395 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 62.9 m -87.99 151.52 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.9 -25.91 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.444 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -82.0 -52.83 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.421 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 184' ' ' VAL . 95.8 mt-10 -65.89 -19.01 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.421 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 51.0 tp -74.78 -45.79 41.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.345 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.16 -56.48 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.173 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.5 p -46.66 -39.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.1 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 180' ' ' GLU . 73.7 t -73.18 -52.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.11 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -46.17 -31.2 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.958 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.2 tp -72.68 -43.76 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.94 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 61.6 tp -51.3 -45.66 62.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.866 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.77 92.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.818 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -58.06 -37.17 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.777 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 -30.27 67.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.856 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.5 t -75.57 -50.03 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.2 t -50.85 -27.21 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.952 178.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 46.6 mt -76.41 -32.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.115 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.08 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.233 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 196' ' ' ALA . 12.8 pt -63.8 -30.5 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.259 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -73.41 -49.62 26.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.289 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.11 -41.64 97.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.18 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.04 -33.03 74.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.327 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.32 -43.23 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.466 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 50.0 mt -48.31 -29.7 4.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 201' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 92.3 p -52.5 -59.07 4.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.61 179.775 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.885 0.374 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -54.57 -31.84 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.571 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -76.89 -49.47 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.684 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' THR . 96.5 mt -57.73 -52.02 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.559 ' O ' ' OG1' ' A' ' 38' ' ' THR . 64.6 mt -56.54 -31.88 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.587 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' HG12 ' A' ' 39' ' ' VAL . 24.2 ttm180 -64.03 -40.46 96.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.794 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.79 -27.18 57.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.559 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 57.2 p -65.66 -38.62 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.755 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.688 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -70.91 -25.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.74 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.09 -36.87 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.08 -40.4 31.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.683 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 38' ' ' THR . 53.6 t -55.38 -56.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.717 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -52.09 -44.03 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -57.9 -49.03 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -63.09 -42.85 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.525 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.02 -13.18 27.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.521 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.67 25.77 15.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.548 HG23 ' CD2' ' A' ' 170' ' ' HIS . 37.5 m -74.67 139.74 43.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 1.0 110.611 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' CG ' HH21 ' A' ' 73' ' ' ARG . 88.8 m-20 -51.41 -43.83 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.431 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 32.2 ttt180 -143.75 131.47 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.938 -176.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -149.78 134.33 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.965 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -138.77 156.81 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 1.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.02 139.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.814 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.1 t80 -119.62 120.5 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 1.0 111.169 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -100.82 141.58 33.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.986 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.41 128.9 46.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.99 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.3 m-20 -94.59 155.79 39.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -38.24 -53.2 1.73 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 1.0 112.139 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 56.9 tt0 -69.99 -12.7 61.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.593 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.21 -4.72 52.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 56.0 p-80 -81.96 101.53 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.527 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -88.05 168.0 36.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 p -139.58 161.95 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 1.0 110.601 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.446 HG12 HD12 ' A' ' 78' ' ' LEU . 4.0 t -90.1 108.28 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.27 -3.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.429 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.688 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.68 126.11 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.489 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.563 ' CD ' HH21 ' A' ' 50' ' ' ARG . 37.2 tt0 -157.88 140.28 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.1 137.82 44.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.693 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -124.1 143.34 50.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.64 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.88 141.86 15.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.12 34.92 0.64 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 41.96 19.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.609 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 25.1 ttp180 -55.94 -43.5 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.539 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 mt -108.45 126.79 28.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.62 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 78.3 Cg_exo -49.83 160.27 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 1.0 112.027 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -92.18 117.03 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.661 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 20.8 mt -99.68 9.96 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.471 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.446 HD12 HG12 ' A' ' 64' ' ' VAL . 6.5 tp -63.86 141.1 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.499 -177.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.07 -6.14 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.46 147.52 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 1.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 p -104.59 133.12 49.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.34 109.0 61.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.08 146.28 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.72 2.28 . . . . 1.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.15 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -19.17 1.85 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.36 -24.42 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 1.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 40.3 mt -119.88 94.99 49.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.521 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.7 Cg_exo -39.71 -111.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.937 2.425 . . . . 1.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 81.7 tt0 -158.89 -53.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.572 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -47.86 -44.71 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.624 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -30.52 68.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.782 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.77 -32.75 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.6 mtp180 -63.38 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.8 -34.75 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.539 ' CD2' HD23 ' A' ' 165' ' ' LEU . 7.6 m-85 -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.706 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -95.08 -21.05 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 58.2 mt -92.34 -49.58 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.226 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.84 -13.79 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.177 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 44.71 58.05 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.813 -178.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 99' ' ' GLN . 4.4 m -155.52 120.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.347 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -163.41 129.29 3.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.479 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.43 ' H ' ' HB2' ' A' ' 133' ' ' ARG . 2.4 p -148.49 151.07 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.701 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.71 127.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 105' ' ' ASP . 5.9 t -84.91 172.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.444 -178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.678 ' H ' HG12 ' A' ' 104' ' ' VAL . 44.7 m-20 -51.06 114.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.584 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 106' ' ' VAL . 37.3 t -48.53 -13.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' ASP . 45.0 tp10 -77.1 -36.33 55.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.488 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.8 61.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.535 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 55.49 65.86 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 m -94.96 124.44 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.199 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -111.64 140.21 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.427 . . . . 1.0 110.973 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.916 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.602 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.912 0.387 . . . . 1.0 110.585 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.46 141.87 13.88 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.909 2.406 . . . . 1.0 112.265 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 135' ' ' VAL . 22.2 m -121.9 130.28 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.368 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.485 ' CG ' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -40.92 157.86 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.707 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.408 ' CD ' ' OD1' ' A' ' 136' ' ' ASP . 31.4 Cg_exo -56.09 -30.08 77.35 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.949 2.432 . . . . 1.0 111.778 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.753 ' HG ' ' CE1' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -62.03 -29.7 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.659 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.914 ' ND1' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -86.96 -28.85 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.128 176.388 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.444 ' CG1' HG13 ' A' ' 106' ' ' VAL . 97.9 t -59.43 -50.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.181 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.22 -46.19 84.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.408 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.58 -43.5 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.335 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.31 -44.69 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.485 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -56.86 -45.54 82.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.641 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.7 p -62.8 -15.65 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.542 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.4 mmm -97.75 0.97 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.505 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.74 71.01 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.61 140.9 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 1.0 110.615 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.98 -32.47 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.196 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.1 t -152.98 118.53 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.014 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -127.09 141.22 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.948 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.5 tp -104.09 131.96 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.115 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.87 127.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.962 0.411 . . . . 1.0 111.038 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.05 96.61 36.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.108 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.446 ' HG3' ' CD2' ' A' ' 95' ' ' PHE . 51.7 Cg_exo -50.64 148.32 15.93 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.882 2.388 . . . . 1.0 112.798 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.21 111.77 20.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.13 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.438 ' O ' ' OG ' ' A' ' 192' ' ' SER . 9.6 ptm -138.39 162.87 33.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 1.0 110.681 -175.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.57 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 64.4 t60 -143.6 122.2 12.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 51.5 t-80 76.18 -113.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -177.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.43 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 5.4 pp0? -118.4 -6.82 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.5 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -104.44 158.99 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.697 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -106.64 129.49 54.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.451 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.3 -44.74 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.588 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.698 ' C ' HD12 ' A' ' 165' ' ' LEU . . . -158.05 -177.48 31.2 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.247 -0.741 . . . . 1.0 111.247 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 165' ' ' LEU . 3.5 mp -137.08 136.67 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 1.0 110.681 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.32 149.52 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.148 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.3 p -158.76 135.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 1.0 111.033 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.412 ' HG ' ' CB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -118.28 138.16 52.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.16 178.079 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 48' ' ' THR . 12.7 m80 -109.46 127.87 54.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.062 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.548 ' CD2' HG23 ' A' ' 48' ' ' THR . 76.8 m-70 -123.96 124.88 43.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.334 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.63 64.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 0.1 OUTLIER -127.43 158.0 71.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.76 140.82 96.67 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.875 2.383 . . . . 1.0 112.183 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -160.07 84.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.319 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.52 157.13 12.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.803 2.335 . . . . 1.0 112.263 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -109.64 145.13 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.452 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -103.87 156.85 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.657 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.58 -44.99 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.384 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -43.92 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 184' ' ' VAL . 79.8 mm-40 -74.23 -8.07 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 185' ' ' GLN . 32.7 tp -83.03 -42.83 17.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.267 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 186' ' ' LEU . 92.9 mm-40 -65.09 -50.65 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.206 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.706 HG23 ' N ' ' A' ' 184' ' ' VAL . 21.5 m -47.15 -53.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.146 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.706 ' N ' HG23 ' A' ' 183' ' ' VAL . 7.6 p -76.37 -53.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.126 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.681 ' N ' HG13 ' A' ' 184' ' ' VAL . 63.4 tt0 -50.06 -38.89 40.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.92 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 182' ' ' GLN . 46.6 tp -74.81 -44.49 49.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.011 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 191' ' ' VAL . 59.1 tp -52.45 -46.95 66.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.97 88.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.752 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.721 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.72 -30.73 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 187' ' ' LEU . 38.2 t -75.14 -51.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.029 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 157' ' ' MET . 42.6 p -53.63 -31.38 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.022 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -69.69 -34.19 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.076 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.14 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.275 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.5 mt -55.41 -53.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.269 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.57 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -61.97 -46.84 87.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.283 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -60.86 -47.01 88.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.338 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -52.78 -41.51 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.452 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.56 -35.82 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.0 m -50.91 -59.66 3.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.882 -1.056 . . . . 1.0 110.507 179.572 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -53.53 -32.3 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.698 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -76.56 -48.64 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 38' ' ' THR . 4.8 mm -57.12 -52.27 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.597 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' A' ' 38' ' ' THR . 59.2 mt -56.56 -32.89 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.624 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' VAL . 75.5 ttt180 -62.83 -42.91 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.84 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.796 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.7 p -68.77 -37.17 79.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.689 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.667 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -69.1 -26.89 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.699 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.25 -33.66 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.772 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.89 -53.68 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.687 HG23 ' N ' ' A' ' 43' ' ' ARG . 34.4 m -52.81 -53.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.721 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.687 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -49.47 -42.72 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.687 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.434 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -52.92 -41.96 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.41 -35.14 78.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.558 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.92 -11.99 25.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.6 28.67 10.84 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.433 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.3 142.32 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 1.0 110.618 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.7 p30 -54.05 -39.05 65.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.502 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.582 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 15.7 ttt85 -144.12 132.44 21.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.904 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 6.5 t -141.61 131.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.873 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -136.85 151.29 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.025 0.441 . . . . 1.0 111.213 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 66' ' ' ALA . 60.0 t -96.77 137.73 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.826 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 52.8 t80 -117.27 113.92 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 1.0 111.144 -177.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -92.86 131.68 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.939 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 75.1 t80 -98.44 127.69 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.961 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -94.8 160.84 30.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.484 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.74 -22.35 57.26 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.868 2.379 . . . . 1.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -90.04 -6.84 55.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.578 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.91 -15.42 51.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 71.6 m80 -74.48 141.73 44.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 1.0 110.589 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -126.97 148.08 17.17 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 p -129.32 152.01 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 1.0 110.515 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.45 109.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -103.85 -3.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.391 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.667 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.83 126.41 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.561 ' CD ' HH21 ' A' ' 50' ' ' ARG . 49.0 tt0 -158.51 139.33 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.433 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.89 138.57 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.689 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HB3' HH12 ' A' ' 50' ' ' ARG . 35.0 ptt180 -117.81 140.83 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.589 -177.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.2 136.16 12.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.96 36.74 1.95 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 42.13 19.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 1.0 110.61 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.8 tpt180 -55.66 -45.15 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -108.08 146.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.607 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.571 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 40.2 Cg_endo -67.74 158.86 55.31 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.763 2.308 . . . . 1.0 112.053 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.463 ' HA ' HH22 ' A' ' 50' ' ' ARG . 69.5 m -85.05 118.71 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.735 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.36 3.15 45.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.467 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 18.4 tp -56.42 137.16 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.508 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -8.7 76.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -84.72 145.74 27.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.34 . . . . 1.0 110.549 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -107.56 138.49 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -105.58 141.65 23.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 1.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -73.74 142.11 31.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.698 2.265 . . . . 1.0 112.179 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -69.72 -35.43 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.16 -17.41 0.34 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ALA . 94.4 m-20 -64.38 -21.36 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 1.0 110.429 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 87' ' ' ILE . 5.0 mt -145.47 99.48 4.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.548 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.43 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.9 Cg_exo -37.88 -82.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.846 2.364 . . . . 1.0 112.131 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.43 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.4 tt0 -174.9 -33.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.57 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -56.33 -44.98 80.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.48 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.83 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -70.38 -31.55 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.696 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.54 -42.6 91.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.601 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.619 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 10.3 mt -58.67 -34.31 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.584 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.442 ' CD2' HD11 ' A' ' 165' ' ' LEU . 6.6 m-85 -72.59 -24.74 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.692 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.624 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 55.7 ttp180 -86.61 -27.66 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.762 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.32 -40.17 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.208 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 94' ' ' LEU . . . -95.62 -26.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.199 -175.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 100' ' ' VAL . 8.1 mp0 39.3 51.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.809 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 99' ' ' GLN . 35.8 t -162.12 127.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.651 ' O ' HG22 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -173.44 130.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.493 177.557 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.529 ' N ' HH11 ' A' ' 101' ' ' ARG . 4.5 m -144.7 154.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.612 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.9 129.89 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.56 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 105' ' ' ASP . 11.9 t -85.12 173.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.419 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.697 ' H ' HG12 ' A' ' 104' ' ' VAL . 25.9 m-20 -49.21 117.72 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.517 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -50.68 -16.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.556 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 105' ' ' ASP . 85.4 tt0 -74.08 -37.19 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.432 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.7 -15.54 30.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.503 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 53.4 69.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.701 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -92.14 122.22 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.185 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -110.53 138.87 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 1.0 111.029 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.939 0.399 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.89 144.89 7.6 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.929 2.419 . . . . 1.0 112.327 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.45 135.18 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.465 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.49 141.52 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.69 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -44.71 -29.4 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.949 2.433 . . . . 1.0 111.764 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -40.32 79.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -82.81 -31.65 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.192 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.08 -60.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.176 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.79 -43.1 98.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.32 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -46.24 -40.87 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.308 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 30.2 mt -74.97 -42.34 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.444 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -57.31 -45.07 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.504 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.3 p -63.73 -16.13 60.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 25.4 mmm -96.93 -1.43 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.58 21.74 71.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.94 141.77 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 1.0 110.691 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.71 -46.3 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.224 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 42.0 t -133.57 120.9 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.094 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.1 p -129.07 138.62 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 1.0 110.954 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.83 130.48 56.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.052 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 101' ' ' ARG . 0.8 OUTLIER -118.08 141.57 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 1.0 111.039 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.55 98.27 23.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.024 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -49.69 151.69 7.5 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.933 2.422 . . . . 1.0 112.816 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -115.8 110.38 18.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.169 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.638 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 9.5 ptm -137.89 155.32 49.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 1.0 110.717 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.641 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 2.4 t-80 -137.25 124.61 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.526 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.641 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 45.7 m-70 77.14 -118.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -115.76 -0.08 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.475 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.44 161.68 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.628 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.5 tp -107.84 128.88 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.457 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -99.81 -43.27 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.736 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -158.11 -176.24 29.94 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 166' ' ' LEU . 1.9 tt -139.63 130.23 25.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.871 0.367 . . . . 1.0 110.709 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.754 ' N ' HD23 ' A' ' 165' ' ' LEU . 5.0 tp -95.19 144.48 25.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.164 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 153' ' ' VAL . 8.6 p -147.74 130.06 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 1.0 111.016 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.25 130.94 56.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.207 177.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -111.67 134.22 53.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.12 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.46 130.21 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.37 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.69 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.684 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 9.9 mp0 -92.49 151.53 41.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.468 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.25 13.59 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.746 2.297 . . . . 1.0 112.216 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -48.87 126.56 13.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.353 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.26 170.9 16.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.843 2.362 . . . . 1.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -96.8 137.44 35.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.443 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 35.8 t -87.61 153.12 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.683 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.32 -31.44 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 183' ' ' VAL . 96.5 mt-10 -70.7 -49.31 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.422 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 184' ' ' VAL . 96.7 mt-10 -72.17 -12.97 61.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.404 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 181' ' ' LEU . 3.4 tt -66.38 -66.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.286 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 11.7 pt20 -71.05 -50.46 33.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.203 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.493 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 60.9 t -42.42 -46.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.064 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 180' ' ' GLU . 92.7 t -74.24 -46.15 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.183 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -45.79 -31.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.979 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.77 -43.95 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.913 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 191' ' ' VAL . 80.3 mt -56.09 -48.92 75.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.831 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.786 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.39 -34.84 72.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 1.0 109.726 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -71.79 -30.03 65.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.855 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 187' ' ' LEU . 31.3 t -75.58 -50.2 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.011 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 157' ' ' MET . 6.3 t -53.96 -33.26 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.033 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 33.3 mt -68.06 -31.41 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.112 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.94 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.216 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.1 mt -55.32 -53.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.245 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.604 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -64.79 -48.06 75.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.215 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -60.83 -46.6 89.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.308 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.28 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -52.36 -41.73 63.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.458 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 tp -47.9 -34.33 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.419 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 94.6 p -50.0 -59.79 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.463 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.581 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 1.0 110.53 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -49.34 -35.2 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -75.25 -51.33 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.697 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 38' ' ' THR . 96.4 mt -57.34 -46.45 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.612 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' O ' ' OG1' ' A' ' 38' ' ' THR . 30.1 mt -56.91 -31.41 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.618 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.6 ttp180 -63.83 -41.21 97.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.773 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' O ' ' OE1' ' A' ' 41' ' ' GLU . . . -74.58 -27.07 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.2 p -66.69 -36.48 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.12 -24.45 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.736 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.57 -46.38 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.773 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 7.8 mp0 -70.54 -38.27 74.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 38' ' ' THR . 56.0 t -55.71 -54.26 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.768 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ttm180 -50.19 -44.47 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.717 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.61 78.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.615 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -62.78 -42.2 99.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.482 ' HB3' HG23 ' A' ' 48' ' ' THR . 6.2 mt -94.47 -13.04 26.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.522 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.768 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.84 26.3 5.59 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.482 HG23 ' HB3' ' A' ' 46' ' ' LEU . 4.6 p -75.98 142.73 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -49.07 -43.72 41.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.502 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.742 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 69.4 ttt180 -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.929 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -148.6 133.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.91 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -138.06 154.44 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.074 0.464 . . . . 1.0 111.178 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.578 HG22 ' CD1' ' A' ' 166' ' ' LEU . 53.3 t -99.99 139.56 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.656 . . . . 1.0 109.841 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 6.6 t80 -125.43 125.65 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 1.0 111.211 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -99.72 137.69 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.907 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -99.77 131.67 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 1.0 110.932 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.561 ' CG ' ' NE2' ' A' ' 61' ' ' HIS . 1.3 m-20 -98.04 152.08 37.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.47 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.84 -21.76 42.08 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.844 2.363 . . . . 1.0 112.065 -176.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 57.5 tt0 -86.28 -8.36 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.596 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 -16.48 45.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.561 ' NE2' ' CG ' ' A' ' 57' ' ' ASP . 28.3 p-80 -82.18 152.73 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 1.0 110.56 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -137.16 160.86 25.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 81' ' ' THR . 5.6 p -134.94 157.95 45.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 1.0 110.586 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.67 110.68 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.645 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.51 -2.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.422 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.61 126.33 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.605 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HG3' HH21 ' A' ' 50' ' ' ARG . 13.5 tm-20 -158.37 140.39 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.433 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HB1' HH21 ' A' ' 43' ' ' ARG . . . -134.05 136.95 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.65 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -116.67 140.65 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.632 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.68 119.33 6.47 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 54.57 40.08 68.75 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 40.97 22.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 71' ' ' GLY . 24.1 ttm180 -60.88 -49.46 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.536 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.79 150.91 37.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.554 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 55.8 Cg_endo -71.41 147.49 52.63 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.77 2.314 . . . . 1.0 111.991 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.4 m -83.58 111.1 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.704 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.742 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 17.6 mt -96.12 8.08 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.532 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.9 tp -56.43 135.53 54.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.495 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -6.17 83.88 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.5 mt -88.21 144.24 26.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 1.0 110.545 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 63' ' ' THR . 72.5 p -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.455 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 26.4 m-85 -115.63 146.4 36.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.484 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -71.03 147.52 54.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.69 2.26 . . . . 1.0 112.119 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.91 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.72 -16.56 1.72 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 62.5 t0 -73.2 -21.62 60.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 2.0 mt -118.23 101.31 51.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.58 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.3 Cg_exo -45.74 -117.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.881 2.387 . . . . 1.0 112.138 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.9 tt0 -160.62 -54.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.679 ' CD ' ' H ' ' A' ' 90' ' ' GLU . 1.6 pm0 -45.8 -42.93 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.682 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.77 -44.0 64.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.784 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.11 -33.45 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.762 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 95.6 mtt-85 -62.02 -33.05 73.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.62 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 98' ' ' ALA . 27.4 mt -64.78 -31.86 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.603 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.576 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 10.5 m-85 -71.81 -35.03 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.429 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 45.6 ttp180 -86.21 -20.59 28.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.785 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.1 mt -103.27 -46.96 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.182 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -104.56 -20.84 13.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.197 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 1.4 mp0 45.48 55.97 6.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.8 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.5 t -153.35 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.444 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' A' ' 101' ' ' ARG . 12.2 tpt85 -159.76 125.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.518 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.58 149.13 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.577 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.79 129.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.594 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.22 176.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.445 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.413 ' OD1' ' OG ' ' A' ' 150' ' ' SER . 15.4 m-20 -52.19 117.56 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.408 HG13 ' CG1' ' A' ' 140' ' ' VAL . 25.3 t -52.17 -15.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.602 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -75.87 -35.83 59.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.413 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.68 -14.41 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.523 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.46 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 6.9 tt0 53.93 67.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.689 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -88.68 123.23 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.206 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.46 ' NH2' ' OE1' ' A' ' 109' ' ' GLN . 98.9 mtt180 -109.78 133.35 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.974 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.842 177.633 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.932 0.396 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.41 141.79 14.4 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.938 2.426 . . . . 1.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.04 135.39 62.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.375 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.4 m-20 -40.01 138.38 1.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.757 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.53 -18.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.015 2.477 . . . . 1.0 111.762 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -63.1 -51.11 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -71.04 -30.75 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.131 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.408 ' CG1' HG13 ' A' ' 106' ' ' VAL . 41.4 t -58.69 -58.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.25 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -66.09 -46.15 78.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.341 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -44.89 -41.41 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.333 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.78 -41.31 60.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.467 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -58.52 -44.27 89.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.491 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.5 m -63.73 -18.33 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 13.9 mmm -94.4 0.1 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.23 72.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.1 t -110.17 143.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 1.0 110.696 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.06 -45.61 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.187 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.413 ' OG ' ' OD1' ' A' ' 105' ' ' ASP . 68.2 m -133.6 121.62 22.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.031 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 30.0 t -129.8 139.98 51.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 1.0 110.939 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.18 134.41 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.081 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 167' ' ' VAL . 45.3 t -113.81 128.96 70.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 1.0 110.992 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.1 117.44 15.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.009 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 150.45 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.976 2.451 . . . . 1.0 112.794 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.43 110.31 19.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.098 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.3 ptm -136.56 159.11 42.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 1.0 110.694 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.645 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 82.6 t60 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.569 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 19.9 t60 64.89 -105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.507 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.25 -6.18 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.481 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -102.97 152.37 21.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.582 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 23.8 tp -104.84 125.73 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -99.63 -41.95 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.692 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.75 -176.11 35.34 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.6 141.03 37.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 1.0 110.698 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.1 tp -103.91 150.84 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.164 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 153' ' ' VAL . 11.0 p -155.51 132.82 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 1.0 111.066 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.5 m -117.24 136.99 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.169 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -108.4 130.38 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 1.0 111.088 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.673 ' CD2' HH12 ' A' ' 174' ' ' ARG . 4.9 t60 -128.42 128.08 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.335 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -71.75 -26.4 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.584 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.2 153.59 37.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.548 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.47 ' O ' ' O ' ' A' ' 174' ' ' ARG . 48.2 Cg_endo -69.81 -92.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.842 2.361 . . . . 1.0 112.225 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.673 HH12 ' CD2' ' A' ' 170' ' ' HIS . 20.8 ttp-105 58.68 127.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.55 164.95 27.84 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.83 2.354 . . . . 1.0 112.14 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -106.36 148.32 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.6 t -91.0 151.87 20.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLN . . . . . 0.508 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 4.0 mp0 -61.73 -30.54 70.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -81.09 -56.11 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.07 -36.29 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.354 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -69.67 -50.46 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.246 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 58.1 t -43.63 -41.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.128 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 93.2 t -74.71 -50.02 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -49.0 -34.91 14.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.877 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.19 -44.49 62.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 1.0 109.993 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 191' ' ' VAL . 56.3 tp -51.93 -45.07 64.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.836 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.31 87.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.769 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -59.28 -37.72 78.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.701 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.66 -30.74 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.867 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 187' ' ' LEU . 41.6 t -76.2 -49.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.054 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 12.2 p -54.23 -32.71 56.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.013 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -67.89 -34.75 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.113 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.06 86.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.252 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.78 -47.78 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.201 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.645 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -67.51 -50.05 60.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.273 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -60.72 -47.19 87.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.265 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.64 -33.61 76.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.319 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.99 -41.65 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.418 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.5 mp -48.9 -35.04 13.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.468 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.1 m -53.17 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.513 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 31' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -50.32 -34.61 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.667 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -75.26 -50.65 15.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 38' ' ' THR . 95.9 mt -58.58 -45.71 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.705 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.55 ' O ' ' OG1' ' A' ' 38' ' ' THR . 32.6 mt -57.54 -31.16 65.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.599 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' O ' HG12 ' A' ' 39' ' ' VAL . 57.3 ttm-85 -64.17 -41.06 97.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.759 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.713 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 61.7 p -66.9 -37.17 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.741 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.631 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -72.04 -25.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.719 -178.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.38 -44.85 61.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.707 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.24 -36.0 71.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' THR . 45.4 t -59.65 -53.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.744 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.8 ttp85 -51.16 -44.96 61.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.7 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.63 80.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.646 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.76 -41.6 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.55 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.37 -13.31 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.744 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.04 26.52 6.09 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 p -75.98 142.42 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 1.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -47.74 -45.16 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.798 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 44.2 ttt85 -145.86 137.32 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.883 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.66 132.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 175.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -137.67 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 1.0 111.142 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG22 ' CD1' ' A' ' 166' ' ' LEU . 62.2 t -101.08 140.01 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.861 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 165' ' ' LEU . 22.4 t80 -123.85 123.34 40.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.98 0.419 . . . . 1.0 111.188 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' CA ' ' A' ' 62' ' ' GLY . 16.5 ptm180 -103.96 144.91 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.971 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 132.74 47.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 1.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' GLY . 6.4 m-20 -96.78 155.52 37.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.475 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -38.66 -51.86 2.18 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.784 2.322 . . . . 1.0 112.113 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 97.3 mt-10 -70.18 -12.18 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 -178.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.598 ' C ' ' HB2' ' A' ' 84' ' ' ALA . . . 102.3 -6.24 53.09 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 50.2 p-80 -82.75 101.09 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 1.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -85.63 167.42 40.65 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.2 p -137.7 161.04 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 1.0 110.595 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 80' ' ' LEU . 14.9 p -95.09 110.35 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.585 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.3 t -109.88 -0.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.397 -177.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.631 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.6 126.94 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.522 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -161.81 141.12 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.517 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.7 144.12 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.632 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.39 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.83 139.35 14.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.43 44.59 3.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' GLY . 17.5 pt-20 33.18 31.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 1.0 110.59 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.0 ttm180 -69.24 -45.92 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.531 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.78 127.03 29.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.489 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.2 Cg_exo -49.49 156.75 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.816 2.344 . . . . 1.0 112.023 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' HH22 ' A' ' 50' ' ' ARG . 35.2 t -85.49 118.77 25.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.672 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.798 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 41.8 mt -100.83 7.29 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.463 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.404 HD21 HH12 ' A' ' 36' ' ' ARG . 21.5 tp -60.3 137.06 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.485 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.564 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -6.55 83.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 176.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.752 ' O ' HG12 ' A' ' 64' ' ' VAL . 81.6 mt -86.86 141.63 28.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 1.0 110.505 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 t -102.34 134.52 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -104.9 108.29 60.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.492 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 53.1 Cg_exo -47.21 145.05 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.771 2.314 . . . . 1.0 112.174 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.598 ' HB2' ' C ' ' A' ' 60' ' ' GLY . . . -64.95 -34.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.801 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.39 -19.15 0.67 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 35.0 p-10 -65.8 -31.01 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 1.0 110.475 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mm -113.14 132.57 22.34 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.56 -105.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -160.67 -49.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -53.32 -43.97 68.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.683 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.09 -37.87 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.825 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -63.37 -32.12 73.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 97' ' ' LEU . 95.1 mtt180 -64.84 -37.76 88.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.07 -37.19 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.6 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 76.0 m-85 -67.89 -34.91 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.676 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.669 ' C ' HE22 ' A' ' 99' ' ' GLN . 27.7 ttm105 -88.34 -22.88 23.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.813 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 97' ' ' LEU . 67.9 mt -95.37 -50.67 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.156 -175.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.55 -14.65 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.238 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.684 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 12.7 mp0 44.05 55.17 5.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.838 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 99' ' ' GLN . 11.0 m -159.4 124.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.354 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -171.07 128.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.3 p -144.96 154.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.6 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.41 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 4.5 mt -106.75 127.03 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.626 HG12 ' N ' ' A' ' 105' ' ' ASP . 16.7 t -83.54 170.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 -177.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.626 ' N ' HG12 ' A' ' 104' ' ' VAL . 62.6 t0 -51.77 116.52 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG23 HG13 ' A' ' 140' ' ' VAL . 8.9 p -50.08 -17.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.62 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -74.43 -38.03 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.465 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -17.16 40.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.555 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 55.28 65.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.715 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 m -89.82 124.74 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.208 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 -111.36 131.66 55.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 1.0 110.934 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.475 ' OG ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.94 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.956 0.408 . . . . 1.0 110.614 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.26 139.36 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.981 2.454 . . . . 1.0 112.288 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.68 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.399 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.2 m-20 -42.02 143.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.743 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.16 -11.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.985 2.457 . . . . 1.0 111.803 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -59.94 -40.04 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.606 179.17 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.03 -21.96 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.145 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.439 HG13 HG23 ' A' ' 106' ' ' VAL . 33.7 t -58.03 -63.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.256 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -66.16 -49.91 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -45.84 -43.41 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.74 -45.69 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -56.51 -45.81 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.5 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -64.33 -16.8 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.563 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.5 mmm -97.3 -1.59 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.05 72.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.56 142.25 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 1.0 110.72 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.27 -47.79 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.171 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.2 t -134.31 120.16 19.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.041 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.3 p -131.72 143.72 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.989 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 tp -101.76 134.73 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.118 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -113.82 127.3 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 1.0 110.937 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 166' ' ' LEU . 3.8 t -132.83 118.34 15.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.007 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 165' ' ' LEU . 73.8 Cg_endo -75.98 153.82 37.51 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.935 2.423 . . . . 1.0 112.751 -175.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.3 mt -116.83 109.75 17.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.121 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.684 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 17.9 ptm -134.49 158.96 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.382 . . . . 1.0 110.698 -174.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.669 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 78.4 t60 -131.72 121.93 25.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.573 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 54.6 t60 65.01 -106.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.54 -4.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.522 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -102.74 149.53 24.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.619 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.8 tp -103.07 127.12 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.456 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -101.43 -43.63 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.652 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.21 -176.79 33.7 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.201 -0.76 . . . . 1.0 111.201 -176.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.7 mp -139.81 139.95 36.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.785 0.326 . . . . 1.0 110.649 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.585 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.0 tp -103.87 152.81 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.235 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.457 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.3 p -158.97 137.31 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 111.059 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.5 p -119.17 132.87 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.144 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -104.22 131.64 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 1.0 111.061 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -126.61 120.16 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.364 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.96 -23.09 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.645 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.74 163.12 17.82 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.53 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 174' ' ' ARG . 43.2 Cg_endo -69.69 -88.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.807 2.338 . . . . 1.0 112.239 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' PRO . 12.5 tpt180 58.7 120.62 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.74 165.05 27.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.895 2.397 . . . . 1.0 112.179 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -106.81 145.19 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 10.6 t -89.92 153.3 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.651 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -57.26 -31.8 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.437 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -87.28 -48.3 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.416 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.4 -28.14 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.401 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.4 tp -76.24 -46.91 25.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.286 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.66 -53.31 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.8 p -45.35 -40.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.006 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.486 ' N ' ' CG1' ' A' ' 183' ' ' VAL . 55.5 t -71.99 -51.74 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.176 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.09 -29.46 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.987 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -44.72 65.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.96 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 86.0 mt -51.32 -45.62 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.754 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.45 98.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.831 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.666 ' O ' HD13 ' A' ' 193' ' ' ILE . 53.6 t0 -62.12 -40.5 96.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.773 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.8 -29.26 70.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.0 109.86 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.4 t -77.3 -47.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 13.5 p -54.26 -35.53 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.949 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 189' ' ' ASP . 1.3 mp -66.45 -35.81 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.129 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.261 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.5 mt -55.98 -49.01 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.21 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.669 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -66.06 -49.55 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.23 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.91 -48.07 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.335 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.309 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -52.19 -41.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.393 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.01 -33.94 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.389 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.4 m -52.02 -60.07 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 202' ' ' LEU . 9.8 mp . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 66.1 t0 -51.97 -33.56 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.13 -49.47 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 38' ' ' THR . 95.5 mt -60.42 -46.06 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' OG1' ' A' ' 38' ' ' THR . 22.3 mt -58.18 -32.13 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.699 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.54 ' O ' HG12 ' A' ' 39' ' ' VAL . 36.3 mtp180 -68.44 -39.21 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.04 -25.49 58.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.739 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 34' ' ' ILE . 34.2 p -69.74 -38.1 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.684 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.664 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -68.78 -25.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.717 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -78.57 -37.95 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.72 -54.15 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.718 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 43' ' ' ARG . 26.1 m -53.57 -47.83 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.729 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' N ' ' A' ' 47' ' ' GLY . 43.3 ttt180 -52.07 -45.95 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.56 62.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -67.94 -35.49 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.58 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.41 -14.6 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.545 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.01 27.15 6.47 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.561 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 12.8 p -76.28 142.63 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 1.0 110.608 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.78 -45.82 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.689 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 43.4 ttt180 -143.24 134.46 25.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.874 -175.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 10.8 t -139.81 130.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.826 -0.624 . . . . 1.0 109.965 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 147.4 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 1.0 111.116 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 66' ' ' ALA . 63.1 t -98.23 138.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.862 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.0 t80 -116.34 115.01 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.092 0.473 . . . . 1.0 111.196 -177.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -91.67 130.17 37.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.001 179.17 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.422 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 3.9 t80 -98.03 128.98 44.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.905 0.383 . . . . 1.0 110.964 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 4.6 m-20 -91.82 151.17 41.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.476 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.5 -19.54 36.91 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.871 2.381 . . . . 1.0 112.123 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.56 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.66 -17.27 59.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 73.1 m80 -77.49 150.08 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 1.0 110.673 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -136.71 159.32 24.49 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.6 p -135.14 158.79 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 1.0 110.585 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -90.12 107.5 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.636 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -104.46 -5.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -154.91 126.13 7.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.512 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.615 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.8 tt0 -158.62 139.23 12.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.44 134.64 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.616 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -114.17 140.62 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.607 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' HA2' HH22 ' A' ' 43' ' ' ARG . . . -99.2 137.92 13.55 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.03 34.89 0.33 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.67 16.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.355 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 63.6 ttt180 -53.29 -46.52 69.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.529 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.82 148.75 36.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.547 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.658 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 39.8 Cg_endo -67.6 157.31 62.34 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.815 2.343 . . . . 1.0 112.002 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 t -89.0 119.51 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.727 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.689 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 21.0 mt -103.12 8.8 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 tp -62.55 139.27 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.545 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.33 81.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 80' ' ' LEU . 86.4 mt -86.33 145.96 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.53 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 81' ' ' THR . 14.3 t -104.43 132.54 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -100.38 139.19 20.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.87 137.08 28.87 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.721 2.281 . . . . 1.0 112.126 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.92 84.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.05 -19.06 3.37 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -69.62 -27.82 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 1.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PRO . 5.7 mt -114.98 91.1 25.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.632 ' O ' ' O ' ' A' ' 87' ' ' ILE . 75.0 Cg_exo -37.4 -113.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.878 2.385 . . . . 1.0 112.166 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.45 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.8 tt0 -159.04 -53.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.633 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -48.32 -41.9 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.708 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.99 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.798 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -63.95 -33.94 76.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.638 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 64.8 mmt-85 -63.31 -37.1 85.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -35.15 74.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.479 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 55.7 m-85 -67.76 -34.83 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.459 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 36.6 ttm180 -88.95 -19.44 25.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.812 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 70.7 mt -93.47 -51.76 4.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.208 -176.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.81 -11.13 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.18 -172.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.61 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 0.9 OUTLIER 44.65 48.85 8.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.837 -178.406 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 24.2 t -155.41 115.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.36 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 5.4 mtp85 -169.37 128.61 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.496 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.4 p -145.09 155.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.612 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 51.6 mt -106.57 129.32 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.53 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.3 p -84.89 173.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.422 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.692 ' H ' HG22 ' A' ' 104' ' ' VAL . 65.5 t0 -51.99 117.84 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.582 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 140' ' ' VAL . 11.3 p -51.93 -20.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.556 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.12 -39.64 82.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.435 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.03 -12.1 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.54 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 52.54 69.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 p -94.52 122.62 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.197 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -110.64 135.93 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.028 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.535 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.1 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.897 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.877 0.37 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.81 139.8 17.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.894 2.396 . . . . 1.0 112.28 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 139' ' ' HIS . 3.2 p -108.05 126.42 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.412 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.535 ' N ' ' OG ' ' A' ' 112' ' ' SER . 13.5 t70 -38.01 137.61 0.73 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -47.34 -43.34 26.71 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.95 2.433 . . . . 1.0 111.706 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -52.85 -30.06 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.56 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.486 ' HB3' HG22 ' A' ' 135' ' ' VAL . 1.0 OUTLIER -88.25 -27.76 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.112 177.735 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.554 HG13 HG23 ' A' ' 106' ' ' VAL . 86.3 t -59.37 -50.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.225 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -63.53 -46.56 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.1 -43.84 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.3 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.17 -45.41 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -53.97 -44.31 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.7 m -64.18 -17.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.57 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.6 mmm -96.19 -4.67 42.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.89 20.81 72.71 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.6 136.1 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 1.0 110.62 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.09 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.1 m -130.41 114.92 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.006 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.5 m -131.38 143.73 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.023 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 mt -102.2 130.53 48.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.012 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.97 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.01 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 166' ' ' LEU . 42.8 t -108.89 123.01 38.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.969 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.11 156.01 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.883 2.388 . . . . 1.0 112.807 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.9 mt -116.25 108.87 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.611 . . . . 1.0 110.183 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.5 ptm -136.01 161.0 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 1.0 110.719 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.554 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 54.9 t-80 -143.38 122.39 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 0.8 OUTLIER 77.0 -114.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.546 -177.728 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -117.74 -4.8 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.482 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -106.41 158.74 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.63 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.407 ' HB2' ' HE ' ' A' ' 96' ' ' ARG . 25.3 tp -108.51 129.46 55.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.447 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -100.52 -41.93 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.88 -176.3 33.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.158 -0.777 . . . . 1.0 111.158 -177.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.6 mp -138.72 139.56 38.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 1.0 110.647 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.555 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.2 tp -104.74 153.49 21.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.152 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.429 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 11.3 p -160.98 138.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 1.0 111.081 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 48' ' ' THR . 89.8 p -116.56 137.34 52.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.121 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -106.17 127.94 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 1.0 111.032 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.416 ' HE2' ' HD3' ' A' ' 174' ' ' ARG . 1.6 t-80 -125.09 119.7 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.393 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.95 -22.27 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.72 156.24 43.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.526 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.47 -81.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.807 2.338 . . . . 1.0 112.172 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.416 ' HD3' ' HE2' ' A' ' 170' ' ' HIS . 55.7 mtp85 50.64 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.408 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.45 164.95 1.77 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.863 2.375 . . . . 1.0 112.216 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -109.69 148.3 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 17.0 t -88.3 151.15 22.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.629 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.95 -27.8 68.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.427 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -81.16 -56.12 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.73 -37.06 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.364 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.25 -46.61 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.324 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -70.74 -51.27 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.199 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.3 t -44.35 -42.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 71.2 t -72.68 -49.98 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.169 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -46.83 -31.34 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.979 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.4 -46.17 70.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.904 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.92 -43.91 60.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.822 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.83 84.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.79 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.96 -38.26 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.796 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.01 -32.93 73.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.92 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.5 -49.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.036 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -33.46 52.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 1.0 109.944 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.5 mt -66.65 -33.96 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.129 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.37 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.265 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.7 mt -54.3 -57.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.257 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.554 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -63.35 -48.38 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.277 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -60.6 -47.18 87.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.259 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.2 77.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.355 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -50.87 -38.76 51.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 53.8 mt -48.19 -32.94 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 78.7 p -51.33 -59.57 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.455 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.523 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -54.25 -32.24 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -76.69 -49.79 15.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.7 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 38' ' ' THR . 96.6 mt -57.37 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.659 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.688 HD22 HH12 ' A' ' 55' ' ' ARG . 89.8 mt -56.47 -32.48 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.67 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.539 ' O ' HG12 ' A' ' 39' ' ' VAL . 69.4 ttt180 -64.06 -40.95 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.52 -26.84 58.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.751 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 34' ' ' ILE . 74.4 p -68.4 -36.75 79.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.66 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.704 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -71.32 -26.62 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.702 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.13 -40.09 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.659 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.94 -53.13 9.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.732 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.634 HG13 ' N ' ' A' ' 43' ' ' ARG . 11.3 p -52.62 -47.83 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.75 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.4 ttt-85 -53.83 -44.89 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.26 -41.66 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.612 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -65.83 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.57 -12.85 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.491 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.9 27.28 4.79 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 13.2 p -76.2 144.17 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 1.0 110.629 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -45.04 -45.84 11.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.679 ' HE ' ' CE1' ' A' ' 169' ' ' HIS . 11.1 ptt180 -147.33 145.53 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.874 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 30.0 t -144.78 133.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.977 175.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HZ3' HD12 ' A' ' 77' ' ' LEU . 40.7 mttt -136.03 149.22 48.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 111.189 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 166' ' ' LEU . 51.3 t -100.18 137.61 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.911 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.477 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 27.7 t80 -117.72 114.34 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.397 . . . . 1.0 111.226 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.688 HH12 HD22 ' A' ' 35' ' ' LEU . 6.5 mmp_? -94.65 137.89 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.93 140.31 36.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 1.0 110.929 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' HIS . 35.8 m-20 -99.85 151.53 37.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.532 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.77 -20.21 16.67 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.842 2.362 . . . . 1.0 112.068 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.47 1.96 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 -15.93 61.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 57' ' ' ASP . 33.8 m80 -75.36 146.69 40.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 1.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.84 156.07 21.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 157.67 45.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 1.0 110.563 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.46 108.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.21 -2.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.438 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.704 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.58 125.71 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -157.32 138.41 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.461 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.75 143.78 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.657 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -124.96 140.84 52.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.58 141.7 15.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.629 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.41 44.15 3.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 71' ' ' GLY . 18.0 pt-20 32.63 29.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 1.0 110.61 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.1 tpp85 -66.71 -44.12 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.437 HD13 HH11 ' A' ' 50' ' ' ARG . 25.7 mt -117.22 146.36 38.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.41 166.41 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.792 2.328 . . . . 1.0 111.973 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -97.7 126.8 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.727 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.595 HD12 ' HZ3' ' A' ' 52' ' ' LYS . 17.7 mt -96.28 11.75 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.75 134.63 57.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.489 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -10.35 70.5 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 77' ' ' LEU . 65.1 mt -83.93 145.09 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 1.0 110.52 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 p -107.41 139.06 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.392 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -108.16 141.28 22.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.424 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -72.19 137.02 27.95 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.754 2.303 . . . . 1.0 112.154 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -62.89 -35.79 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.804 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.17 -17.26 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 84' ' ' ALA . 92.6 m-20 -70.11 -27.22 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.0 110.511 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.7 mm -113.69 101.46 53.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.4 Cg_exo -44.77 -116.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.894 2.396 . . . . 1.0 112.092 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.7 tt0 -156.11 -54.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -46.87 -43.36 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.5 -46.51 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.764 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -54.39 -34.0 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.64 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -64.21 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.541 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.5 ' CD1' HH21 ' A' ' 133' ' ' ARG . 27.9 mt -60.91 -35.51 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 -177.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 32.2 m-85 -68.52 -30.81 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.658 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -91.94 -21.66 20.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.793 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 97' ' ' LEU . 75.9 mt -92.0 -49.42 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.222 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.23 -12.4 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.251 -173.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.9 OUTLIER 43.52 57.66 3.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.844 -179.312 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 99' ' ' GLN . 6.5 m -157.96 124.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.409 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 101' ' ' ARG . 1.1 tpm_? -165.16 128.51 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.49 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.38 151.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.575 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.2 mt -113.94 129.41 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 105' ' ' ASP . 7.6 t -87.57 174.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.437 -176.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.732 ' H ' HG12 ' A' ' 104' ' ' VAL . 29.9 m-20 -50.79 117.77 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.576 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 106' ' ' VAL . 25.5 t -50.71 -14.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.53 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.2 tt0 -67.12 -40.85 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.393 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.41 1.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.483 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' A' ' 107' ' ' GLU . 14.0 pt20 37.44 70.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 p -89.67 123.5 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.256 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -111.52 140.38 46.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.997 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.456 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.864 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.5 HH21 ' CD1' ' A' ' 94' ' ' LEU . 22.2 tpt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.35 . . . . 1.0 110.551 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.427 ' O ' ' OG ' ' A' ' 112' ' ' SER . 76.4 Cg_exo -48.65 141.61 20.05 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.018 2.479 . . . . 1.0 112.266 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 135' ' ' VAL . 13.8 m -115.63 130.68 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.396 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -41.48 154.67 0.23 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.797 178.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.49 -12.32 10.69 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.985 2.456 . . . . 1.0 111.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -40.09 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.64 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -84.0 -27.99 28.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.079 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -55.61 -64.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.249 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -56.73 -41.7 77.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.409 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 146' ' ' MET . 76.3 t80 -49.23 -46.6 46.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.3 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.82 -48.89 43.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -56.94 -45.52 82.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -64.17 -18.0 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.569 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 19.1 mmm -97.11 -2.58 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.86 22.74 65.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.454 ' CG2' ' NH1' ' A' ' 50' ' ' ARG . 74.1 t -107.41 139.69 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.664 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.08 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.171 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.4 t -135.27 123.1 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.063 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.2 t -132.3 141.01 48.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.972 0.415 . . . . 1.0 110.984 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 176' ' ' TYR . 1.8 tp -100.37 135.77 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.045 177.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 167' ' ' VAL . 48.6 t -113.47 126.36 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 1.0 110.98 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 t -129.65 113.85 17.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.981 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.3 152.02 43.98 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.891 2.394 . . . . 1.0 112.849 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.587 HD12 HH21 ' A' ' 55' ' ' ARG . 42.7 mt -116.74 110.6 18.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.079 178.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.522 ' N ' ' OG ' ' A' ' 192' ' ' SER . 11.1 ptm -135.67 153.91 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 1.0 110.704 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.471 ' ND1' ' CB ' ' A' ' 196' ' ' ALA . 80.0 t60 -122.42 122.39 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.515 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.0 m80 59.38 -102.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.525 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -116.74 -7.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.485 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.83 148.78 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.626 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.67 124.87 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.437 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.421 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 76.9 m95 -101.48 -42.87 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.683 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.45 -175.89 33.95 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.153 -0.779 . . . . 1.0 111.153 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.5 143.43 35.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.814 0.34 . . . . 1.0 110.707 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.576 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -107.59 153.4 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.424 HG23 HG22 ' A' ' 153' ' ' VAL . 10.7 p -160.53 138.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 1.0 111.017 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 41.7 m -120.49 140.63 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.136 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.679 ' CE1' ' HE ' ' A' ' 50' ' ' ARG . 8.0 m80 -118.25 137.72 52.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.012 -178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.505 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.3 t-80 -131.11 132.4 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.39 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.505 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -62.14 -23.47 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.64 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.09 151.44 49.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.556 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.43 -72.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.882 2.388 . . . . 1.0 112.209 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.828 ' HE ' ' H ' ' A' ' 174' ' ' ARG . 0.0 OUTLIER 47.8 75.83 0.62 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.97 172.67 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.796 2.33 . . . . 1.0 112.274 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.408 ' CD1' HD13 ' A' ' 152' ' ' LEU . 96.2 m-85 -118.39 139.6 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.429 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 11.3 m -84.0 151.74 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.64 -28.37 68.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.455 ' OE2' ' CG1' ' A' ' 183' ' ' VAL . 5.7 tm-20 -85.22 -53.03 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.463 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.38 -25.85 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.394 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.56 -38.26 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.363 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -70.82 -57.57 4.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.244 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.455 ' CG1' ' OE2' ' A' ' 179' ' ' GLU . 19.3 m -47.73 -36.17 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.142 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 29.4 t -73.27 -53.14 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.138 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -45.97 -35.52 4.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.97 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.09 -39.3 72.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.925 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 8.5 tp -53.66 -46.48 70.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.833 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.848 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -56.53 -33.9 66.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 1.0 109.738 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -73.27 -28.39 62.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.809 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 -50.25 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.054 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.4 t -51.66 -27.97 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.949 177.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 47.1 mt -75.96 -31.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.105 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.33 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.285 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 196' ' ' ALA . 21.6 pt -68.97 -27.64 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.24 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.471 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -74.89 -53.68 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.202 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.4 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 14.8 pt20 -67.3 -36.98 82.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.305 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -66.57 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.305 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -52.62 -41.35 63.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.489 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 47.8 mt -47.95 -29.14 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 96.6 p -54.98 -58.64 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.44 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.542 179.554 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.76 0.314 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -48.97 -34.21 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.593 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.24 -49.79 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 38' ' ' THR . 5.0 mm -58.84 -46.24 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.611 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' ' OG1' ' A' ' 38' ' ' THR . 39.9 mt -57.65 -32.44 67.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.615 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 39' ' ' VAL . 46.8 ttp180 -64.77 -40.79 95.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.795 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -26.03 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.71 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.2 p -69.38 -36.4 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.673 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.711 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.1 p -72.33 -24.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.699 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -74.67 -47.72 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.737 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 85.1 tt0 -70.38 -43.07 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.73 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 38' ' ' THR . 44.4 t -53.27 -55.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' A' ' 47' ' ' GLY . 65.4 ttt-85 -49.0 -42.06 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.717 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 41' ' ' GLU . . . -55.1 -45.38 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.648 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.44 -39.07 93.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.55 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.7 -12.0 28.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.541 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.36 25.76 3.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 17.5 p -76.55 145.72 38.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 1.0 110.552 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -42.35 -48.41 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.453 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.477 HH21 HG21 ' A' ' 148' ' ' VAL . 26.0 ptt180 -151.0 145.55 25.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.859 -177.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 12.3 t -142.27 135.16 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.964 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HZ1' ' HD2' ' A' ' 50' ' ' ARG . 27.3 mttm -136.17 149.86 48.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 1.0 111.192 -176.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.699 HG22 ' CD1' ' A' ' 166' ' ' LEU . 47.2 t -100.69 137.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.846 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.4 t80 -117.63 118.68 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 1.0 111.227 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -103.47 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.009 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.612 ' CG ' ' NH2' ' A' ' 92' ' ' ARG . 19.5 m-85 -102.58 146.82 27.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 1.0 110.869 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.0 m-20 -102.03 150.84 37.81 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.65 -22.44 1.82 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.784 2.323 . . . . 1.0 112.132 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -98.03 0.47 46.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.526 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.39 -14.08 61.09 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.597 ' O ' ' N ' ' A' ' 57' ' ' ASP . 21.0 m80 -71.98 144.01 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 1.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.86 152.69 19.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 p -133.94 157.2 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 1.0 110.541 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -89.79 108.0 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -104.52 -4.02 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.03 124.92 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.601 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.1 tm-20 -156.76 139.55 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.452 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.2 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.607 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -122.48 140.83 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.584 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.08 140.91 15.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.98 34.93 0.6 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 42.45 18.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.616 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.0 tpm_? -53.67 -44.27 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.594 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.93 149.1 48.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.593 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.18 166.29 23.71 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.839 2.359 . . . . 1.0 112.059 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 67' ' ' GLU . 26.0 t -99.09 131.67 44.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.629 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 80' ' ' LEU . 21.3 mt -98.86 14.79 27.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 79' ' ' GLY . 0.6 OUTLIER -68.0 134.99 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 -177.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.481 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 86.54 -10.71 66.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 77' ' ' LEU . 76.1 mt -83.76 148.71 26.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 1.0 110.526 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 p -107.95 136.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.74 139.26 19.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.463 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -71.49 139.3 34.18 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.815 2.343 . . . . 1.0 112.092 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.774 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.04 -19.22 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.56 -9.84 55.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 1.0 110.561 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.9 mt -136.96 132.14 18.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.615 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.46 -102.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.882 2.388 . . . . 1.0 112.097 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -170.47 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -50.58 -46.05 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.707 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.17 76.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.612 ' NH2' ' CG ' ' A' ' 56' ' ' PHE . 76.7 ttt180 -64.72 -32.35 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.637 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' LEU . 65.4 mtp85 -63.96 -38.58 91.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.539 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 10.7 mt -58.57 -36.45 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.547 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 66.2 m-85 -68.47 -28.54 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.724 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -95.05 -23.3 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 93' ' ' ARG . 65.0 mt -91.22 -49.26 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.149 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.5 -10.53 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.163 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 41.59 58.37 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.807 -179.403 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.5 p -160.63 122.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.36 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.629 HH22 ' CG1' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -169.11 129.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 152.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.596 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.629 ' CG1' HH22 ' A' ' 101' ' ' ARG . 5.4 mt -108.69 128.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.571 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.686 HG22 ' H ' ' A' ' 105' ' ' ASP . 5.5 p -85.25 172.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.471 -177.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 104' ' ' VAL . 56.8 m-20 -51.69 117.76 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.442 HG23 ' CG1' ' A' ' 140' ' ' VAL . 12.2 p -51.03 -18.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.605 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -72.67 -37.73 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -14.6 8.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.524 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 53.74 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.729 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.7 m -93.95 124.18 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.28 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.7 ptt-85 -111.4 138.35 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.968 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.533 ' OG ' ' C ' ' A' ' 134' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.871 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.949 0.404 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.533 ' C ' ' OG ' ' A' ' 112' ' ' SER . 71.7 Cg_endo -76.98 139.75 19.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.02 2.48 . . . . 1.0 112.317 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' A' ' 112' ' ' SER . 2.3 m -120.58 132.01 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.443 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -37.29 152.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.711 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.03 -33.58 95.31 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.96 2.44 . . . . 1.0 111.816 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -61.84 -31.14 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.535 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.442 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 14.2 t-80 -87.49 -31.0 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.115 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 136' ' ' ASP . 95.0 t -61.42 -47.43 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.231 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.47 -45.94 81.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.397 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -45.87 -38.44 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.305 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.01 -40.95 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.466 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -57.77 -45.32 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.532 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.4 m -63.28 -16.4 60.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.4 mmm -96.17 -0.19 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.473 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.57 19.69 77.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.477 HG21 HH21 ' A' ' 50' ' ' ARG . 96.7 t -104.34 140.08 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 1.0 110.678 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.49 -53.24 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.16 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.2 t -130.86 116.63 18.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.061 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.4 t -130.8 142.98 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 1.0 110.921 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.3 tp -101.56 132.7 47.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.076 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.87 129.26 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 1.0 111.039 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 t -133.29 121.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.995 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.57 150.62 24.85 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.92 2.413 . . . . 1.0 112.81 -175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.3 108.27 17.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.058 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.5 ptm -136.81 162.92 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 1.0 110.684 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.519 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 50.0 t-80 -145.84 121.89 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 58.0 t60 79.05 -114.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.487 -177.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -118.01 -3.01 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.467 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.29 159.6 16.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.604 -176.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.403 HD23 ' HE ' ' A' ' 92' ' ' ARG . 29.6 tp -107.28 129.5 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.461 177.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -100.05 -44.01 6.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.93 -176.22 30.73 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -138.84 133.92 32.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 1.0 110.73 -179.271 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.699 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.7 tp -104.51 153.82 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.205 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.5 p -163.44 139.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 1.0 111.024 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 25.9 p -117.15 135.62 53.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.2 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -112.52 135.41 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 1.0 110.984 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -127.99 135.66 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.37 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.463 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -89.2 30.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.647 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 9.9 mp0 -154.29 135.03 8.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.5 111.87 3.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.795 2.33 . . . . 1.0 112.223 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -147.82 142.59 16.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.37 150.73 37.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.85 2.367 . . . . 1.0 112.146 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -104.69 155.09 19.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.442 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.9 t -90.8 150.5 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.617 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.95 -29.75 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.422 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -77.45 -47.24 20.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.455 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.9 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.331 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -70.3 -53.71 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.195 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 60.1 t -43.61 -43.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.05 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.49 -50.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -49.35 -38.11 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.935 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.42 -44.24 62.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.93 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 187' ' ' LEU . 2.5 tt -51.35 -45.88 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.849 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.761 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.94 -35.96 76.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.737 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.26 -29.09 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.889 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.36 -48.95 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.064 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.6 p -54.02 -32.96 55.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.012 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.61 -33.05 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.077 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.65 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.301 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.9 mt -55.22 -55.29 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.519 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -64.34 -48.23 76.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.273 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.0 -46.91 88.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.268 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.69 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.336 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -51.48 -40.08 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.426 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 200' ' ' LEU . 36.4 mt -47.78 -30.9 4.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.445 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 78.9 p -51.2 -59.27 4.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.549 179.627 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.8 p-10 -53.29 -31.52 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.582 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 21.3 tp60 -77.45 -47.14 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 38' ' ' THR . 22.1 mm -58.38 -49.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' O ' ' OG1' ' A' ' 38' ' ' THR . 81.4 mt -59.18 -33.77 71.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.654 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.664 ' O ' HG12 ' A' ' 39' ' ' VAL . 52.9 mtp85 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.769 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -26.26 60.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.733 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.5 p -68.37 -33.87 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.666 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.744 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.9 p -71.27 -28.32 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.693 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -79.47 -43.52 23.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.658 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.69 -53.1 30.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.694 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 43' ' ' ARG . 7.1 p -51.93 -45.73 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.77 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.745 ' O ' ' N ' ' A' ' 47' ' ' GLY . 63.4 ttt180 -47.75 -43.69 27.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.744 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.39 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.517 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 48' ' ' THR . 5.1 mt -95.44 -11.29 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.47 -178.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.745 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.22 27.27 1.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 46' ' ' LEU . 2.9 p -75.98 142.89 41.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.827 0.346 . . . . 1.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 94.2 m-20 -50.87 -40.83 57.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.452 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.753 HH22 ' HE ' ' A' ' 73' ' ' ARG . 5.7 mtt-85 -146.21 137.76 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.914 -176.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 7.8 p -145.91 132.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.962 175.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HZ2' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mttm -134.76 148.53 50.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 1.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.81 HG22 ' CD1' ' A' ' 166' ' ' LEU . 22.2 t -102.11 139.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.861 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.3 t80 -121.98 122.95 40.51 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.716 -0.393 . . . . 1.0 111.209 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -102.92 142.05 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.987 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.638 ' CZ ' ' NH1' ' A' ' 92' ' ' ARG . 16.1 m-85 -103.31 144.59 31.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 1.0 110.946 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.1 m-20 -102.05 148.95 36.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.41 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.29 -21.2 1.78 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -95.15 2.29 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.634 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.88 62.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.595 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.4 m80 -75.48 147.29 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 1.0 110.615 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.24 158.04 23.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -134.31 157.98 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 1.0 110.577 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 80' ' ' LEU . 10.0 p -92.86 109.65 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.636 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.27 -0.1 10.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.397 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.74 124.95 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.596 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 72.1 tt0 -152.96 138.01 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.461 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.25 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.642 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -127.46 144.3 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.643 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.6 148.11 16.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.92 30.62 0.38 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 43.09 16.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.578 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HE ' HH22 ' A' ' 50' ' ' ARG . 18.3 ttp180 -52.23 -37.93 56.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.591 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD12 ' HD2' ' A' ' 75' ' ' PRO . 10.4 tp -116.23 131.91 23.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD2' HD12 ' A' ' 74' ' ' LEU . 21.1 Cg_endo -59.54 145.64 97.45 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.779 2.32 . . . . 1.0 112.039 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.1 p -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.639 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.587 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 mt -96.67 6.05 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.519 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.535 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.8 tp -57.6 136.96 56.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.553 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -7.65 81.33 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.742 ' O ' HG12 ' A' ' 64' ' ' VAL . 81.9 mt -86.66 141.59 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 1.0 110.529 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -103.3 136.41 43.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.57 137.77 19.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.497 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.64 144.73 40.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.74 2.293 . . . . 1.0 112.145 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.33 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.813 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.92 -17.23 1.46 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -145.88 100.58 4.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.606 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 95.1 Cg_exo -41.74 -93.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.899 2.399 . . . . 1.0 112.074 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.8 tt0 -173.41 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.556 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -52.96 -45.07 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.65 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.04 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.791 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.638 ' NH1' ' CZ ' ' A' ' 56' ' ' PHE . 33.7 mtp85 -65.89 -32.9 74.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.686 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -63.49 -39.19 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.556 HD13 HH12 ' A' ' 101' ' ' ARG . 12.7 mt -57.21 -36.09 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.636 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.441 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 70.2 m-85 -70.01 -28.88 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.477 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 64.0 mtp180 -84.44 -24.87 29.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.862 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 66.7 mt -106.47 -45.11 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.15 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -94.89 -24.88 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.205 -173.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.56 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 1.8 mp0 41.92 55.41 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.829 -178.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.565 ' O ' ' NE ' ' A' ' 101' ' ' ARG . 7.7 p -167.97 127.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.357 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.58 ' CZ ' ' NH1' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -170.31 132.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.462 177.536 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -147.41 153.65 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.629 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -108.94 128.69 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 105' ' ' ASP . 4.5 p -84.45 173.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.47 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.689 ' H ' HG22 ' A' ' 104' ' ' VAL . 66.0 t0 -51.15 117.6 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.531 HG23 ' CG1' ' A' ' 140' ' ' VAL . 13.3 p -50.63 -18.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.533 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -69.79 -38.62 76.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.425 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.54 -13.56 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.584 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 52.36 69.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -95.99 123.3 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.271 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -111.59 142.11 44.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.481 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.855 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.58 ' NH1' ' CZ ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.866 0.365 . . . . 1.0 110.549 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.9 142.08 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.923 2.415 . . . . 1.0 112.279 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 135' ' ' VAL . 9.9 m -120.37 131.97 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.437 177.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.481 ' HA ' ' H ' ' A' ' 112' ' ' SER . 30.3 p-10 -39.95 137.76 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.745 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -42.42 -33.56 2.7 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.98 2.454 . . . . 1.0 111.727 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -60.99 -35.19 76.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.658 -178.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.473 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 26.4 t-80 -84.05 -30.09 26.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.153 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 106' ' ' VAL . 46.6 t -57.78 -55.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.217 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -60.55 -44.0 96.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.358 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -44.97 -42.81 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.283 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.17 -42.57 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.386 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -57.16 -44.64 83.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.496 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -64.61 -16.66 63.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.535 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 38.9 mmm -96.68 -1.85 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.498 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.34 21.26 70.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 39.1 t -110.56 142.82 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.72 -47.39 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.9 p -131.75 117.47 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.083 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 36.2 p -131.41 144.38 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.007 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -102.95 134.44 46.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 19.8 t -110.92 128.85 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.003 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.3 117.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.967 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.02 150.93 30.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 1.0 112.796 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -113.78 108.48 17.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.145 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 ptm -136.56 157.2 47.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 1.0 110.643 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.625 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 43.1 t-80 -139.02 121.79 16.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.487 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 19.4 t-80 78.11 -114.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.559 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -117.49 -2.41 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.498 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -107.89 158.97 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.607 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 30.2 tp -106.41 130.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -100.26 -44.59 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.688 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.77 -176.36 30.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -139.01 134.6 33.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 1.0 110.671 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.81 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.6 tp -104.18 153.69 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.206 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.1 p -161.6 137.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 1.0 111.049 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.3 p -115.98 138.94 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.129 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -108.88 130.27 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.006 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.463 ' CE1' ' HE ' ' A' ' 174' ' ' ARG . 0.5 OUTLIER -124.9 127.72 47.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.388 177.557 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -90.22 29.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.687 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 27.9 mt-10 -158.58 150.33 17.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.34 84.28 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.767 2.311 . . . . 1.0 112.214 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.463 ' HE ' ' CE1' ' A' ' 170' ' ' HIS . 57.9 ttm-85 -118.72 91.58 42.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 1.0 110.394 -179.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.34 162.21 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 1.0 112.218 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -105.66 142.71 34.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.452 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 30.4 t -89.53 153.41 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -57.35 -34.79 69.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.442 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.33 -54.95 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.459 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.71 -31.74 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.413 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 181' ' ' LEU . 1.4 tt -52.01 -56.89 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -62.13 -48.56 79.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.158 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.51 -50.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.067 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.85 -52.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.091 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.42 -38.38 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.0 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 6.2 tt -74.0 -46.16 45.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.96 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.8 tp -51.45 -45.02 62.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.778 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.69 84.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.762 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -59.34 -37.65 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.694 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.31 -31.94 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.867 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.53 -49.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.035 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.0 p -52.95 -31.35 39.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.938 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.63 -33.93 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.124 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.57 83.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.85 -48.49 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.205 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -65.55 -48.86 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.26 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.32 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.231 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.7 74.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.29 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -53.92 -43.93 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.398 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 45.4 mt -48.73 -35.29 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -53.18 -59.82 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.534 179.59 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -48.45 -34.42 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.665 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 26.3 mp0 -76.55 -49.78 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.695 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.67 -42.74 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.63 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 38' ' ' THR . 28.3 mt -61.36 -31.65 71.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.581 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.772 ' O ' HG12 ' A' ' 39' ' ' VAL . 67.8 ttp85 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.761 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.65 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.692 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 35' ' ' LEU . 1.5 t -72.12 -32.68 67.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.4 p -70.01 -22.93 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.13 -42.64 59.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.87 -39.86 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 38' ' ' THR . 58.1 t -53.7 -54.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.732 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.715 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.4 ttt-85 -49.6 -42.65 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.749 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.24 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.651 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.01 -41.34 97.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.54 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -94.79 -11.76 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.45 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.05 25.6 2.6 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 12.3 t -76.09 145.42 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 1.0 110.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -41.27 -49.01 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.491 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.488 HH22 ' CE ' ' A' ' 146' ' ' MET . 39.7 ptt180 -151.68 147.0 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.909 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.0 p -144.94 134.15 18.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 176.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -137.01 151.62 49.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 1.0 111.172 -175.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.574 HG22 ' CD1' ' A' ' 166' ' ' LEU . 59.5 t -100.24 138.3 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.867 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 165' ' ' LEU . 15.9 t80 -121.91 121.9 38.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 1.0 111.186 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -102.66 142.8 33.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.047 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.06 140.69 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 1.0 110.897 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.1 m-20 -100.26 151.1 37.44 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.495 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -42.14 -44.11 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.757 2.304 . . . . 1.0 112.11 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.2 -9.32 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.558 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.81 -8.87 43.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 18.1 m80 -74.46 145.99 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 1.0 110.632 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -131.28 155.03 21.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 HG22 ' A' ' 81' ' ' THR . 7.9 p -134.63 157.49 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.02 109.12 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.672 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 t -105.09 -2.25 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.41 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.68 130.4 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -164.14 141.18 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.18 148.15 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.646 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -135.77 146.17 47.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.626 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.87 149.05 16.72 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 42.58 31.57 1.09 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 42.29 17.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.661 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.1 ttm180 -57.87 -41.88 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.1 mt -116.66 117.91 37.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.593 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.36 168.15 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.774 2.316 . . . . 1.0 112.077 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -98.94 123.32 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.643 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 80' ' ' LEU . 18.7 mt -94.16 10.38 34.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -57.46 133.78 55.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.467 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.66 -12.01 66.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 77' ' ' LEU . 72.9 mt -82.52 143.33 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 1.0 110.5 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.412 HG22 HG22 ' A' ' 63' ' ' THR . 68.1 p -111.82 148.55 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.459 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 20.9 m-85 -118.27 148.13 43.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.5 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 40.6 Cg_endo -74.22 138.65 25.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.689 2.259 . . . . 1.0 112.124 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.756 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.73 -17.45 2.13 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 24.7 p-10 -73.35 -9.63 58.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 1.0 110.556 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.52 ' O ' ' O ' ' A' ' 88' ' ' PRO . 96.7 mt -134.82 94.57 16.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.581 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.1 Cg_exo -39.88 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.852 2.368 . . . . 1.0 112.122 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.435 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.3 tt0 -164.99 -50.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.631 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.5 pt-20 -46.82 -43.2 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.694 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -72.22 -41.76 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.774 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -59.85 -32.66 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.695 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -64.27 -35.51 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.94 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.584 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.485 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 67.9 m-85 -69.02 -35.93 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.715 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.456 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 42.1 ttp180 -87.48 -19.38 28.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 97' ' ' LEU . 58.2 mt -96.13 -50.22 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.206 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.11 -14.7 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.183 -172.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.613 ' O ' HG13 ' A' ' 100' ' ' VAL . 1.1 mp0 45.63 56.56 5.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.81 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.1 m -159.75 124.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.355 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.485 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -171.62 127.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 177.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.47 153.78 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.636 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.29 129.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.618 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 105' ' ' ASP . 16.7 t -86.39 173.61 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.393 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.703 ' H ' HG12 ' A' ' 104' ' ' VAL . 56.4 m-20 -48.99 117.54 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.532 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 106' ' ' VAL . 34.9 t -51.41 -12.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.617 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.1 tp10 -76.75 -34.67 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.494 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.27 -13.83 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.527 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 52.64 69.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 p -89.51 123.73 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.248 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -109.04 134.39 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 1.0 110.929 -177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.913 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.456 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . 15.7 mmm180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.92 0.391 . . . . 1.0 110.654 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.15 141.35 16.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.896 2.398 . . . . 1.0 112.278 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.65 135.57 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.4 m-20 -40.81 140.39 1.07 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.15 -18.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.922 2.415 . . . . 1.0 111.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.626 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -79.74 -31.13 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.089 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.41 ' CG1' HG13 ' A' ' 106' ' ' VAL . 40.5 t -56.99 -63.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -58.99 -41.92 88.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -46.13 -41.67 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.287 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.77 -44.8 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.426 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.527 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.8 p -65.84 -17.79 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.586 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.488 ' CE ' HH22 ' A' ' 50' ' ' ARG . 16.5 mmm -95.49 -1.08 51.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.462 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.46 20.26 72.2 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.401 HG21 HH21 ' A' ' 50' ' ' ARG . 41.2 t -109.67 143.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.862 0.363 . . . . 1.0 110.631 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.5 -47.09 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.168 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.5 p -131.08 120.2 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.081 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.0 p -131.69 143.32 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 111.048 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.49 136.47 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.08 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.3 127.3 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 1.0 111.039 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.2 t -132.68 120.79 16.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.999 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -78.62 150.81 24.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.965 2.443 . . . . 1.0 112.75 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.0 mt -113.95 110.0 19.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.13 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 ptm -135.08 160.87 36.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 1.0 110.713 -175.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.6 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 84.2 t60 -131.97 122.51 25.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.485 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 0.5 OUTLIER 62.42 -104.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.699 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 13.9 pt20 -116.8 -6.86 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.491 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -101.5 150.46 23.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.588 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.89 125.23 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.45 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -99.29 -42.38 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.635 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.3 -177.27 34.25 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.151 -0.78 . . . . 1.0 111.151 -176.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 54' ' ' TYR . 55.3 mt -135.99 137.81 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.662 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.574 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.8 tp -105.08 151.18 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.195 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.5 p -158.81 135.16 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 1.0 111.05 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.0 p -117.47 135.9 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.172 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 48' ' ' THR . 74.3 m-70 -116.51 134.98 54.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.022 -178.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' A' ' 172' ' ' GLU . 3.8 t60 -130.85 136.81 48.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.428 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -84.36 36.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.648 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' A' ' 170' ' ' HIS . 9.8 mp0 -158.28 152.78 20.5 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.486 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.539 ' O ' ' O ' ' A' ' 174' ' ' ARG . 39.8 Cg_endo -67.66 -97.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.859 2.373 . . . . 1.0 112.161 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.539 ' O ' ' O ' ' A' ' 173' ' ' PRO . 9.5 tpt180 55.25 122.8 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.367 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.07 166.88 25.95 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.875 2.384 . . . . 1.0 112.221 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -107.67 147.84 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.5 m -90.41 152.78 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.584 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.06 -29.81 70.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.377 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -79.98 -55.13 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.436 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.37 -37.35 80.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.445 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.83 -45.74 82.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.232 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.62 -50.28 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.275 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 53.1 t -44.19 -44.99 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.142 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.34 -49.94 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.204 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.27 -33.85 9.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.96 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -44.31 63.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.889 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.89 -44.4 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.83 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.14 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.783 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -61.53 -36.94 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.786 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.54 -29.3 67.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.854 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.28 -48.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.041 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 p -54.7 -32.29 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.97 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 37.2 mt -69.03 -33.58 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.1 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.29 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.299 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 10.7 mt -55.86 -49.37 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.224 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -66.62 -49.73 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.23 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.72 -47.5 86.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.21 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.83 76.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.306 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -52.29 -42.16 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.457 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.0 tp -48.47 -36.1 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.457 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.4 m -50.18 -60.21 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.064 -0.97 . . . . 1.0 110.549 179.721 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.72 -32.88 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -75.13 -50.81 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.66 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' THR . 96.3 mt -56.66 -49.38 78.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.631 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' O ' ' OG1' ' A' ' 38' ' ' THR . 54.9 mt -56.14 -31.83 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.595 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.614 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.4 ttt180 -63.92 -41.01 97.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.833 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.77 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 42' ' ' VAL . 74.8 p -67.99 -36.27 79.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.664 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.647 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.8 p -70.71 -24.87 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.698 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 95.8 mt-10 -74.04 -35.01 64.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.731 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.49 -37.82 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.674 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 38' ' ' THR . 74.4 t -58.98 -56.52 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.753 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.775 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ptm180 -51.61 -42.92 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.539 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.595 ' CB ' HG23 ' A' ' 48' ' ' THR . 16.9 mt -93.75 -13.75 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.576 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.78 25.41 15.36 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.595 HG23 ' CB ' ' A' ' 46' ' ' LEU . 68.6 p -74.79 142.34 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 1.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.1 m-20 -43.35 -47.98 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.52 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.636 ' HG3' ' HD2' ' A' ' 169' ' ' HIS . 30.8 ptt180 -150.89 145.77 25.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 1.0 110.871 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 8.0 p -150.57 137.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.917 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -138.93 155.21 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 1.0 111.162 -177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 166' ' ' LEU . 57.4 t -100.33 138.4 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.822 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.5 t80 -124.16 126.64 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 1.0 111.229 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -107.14 146.18 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.99 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.26 140.86 36.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 1.0 110.867 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.2 m-20 -100.42 152.17 37.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.503 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -40.82 -46.48 4.85 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.841 2.361 . . . . 1.0 112.088 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -71.64 -13.14 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 108.41 -6.25 33.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 57' ' ' ASP . 56.5 m80 -74.33 144.65 44.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 1.0 110.512 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -129.5 152.88 19.69 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -133.64 156.71 47.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.89 111.06 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.65 -0.46 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.443 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.647 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.76 127.99 6.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.556 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 75.9 tt0 -162.49 141.67 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.501 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.74 142.89 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.569 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.538 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 66.2 mtp180 -107.14 134.53 50.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.59 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -87.03 118.0 4.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.72 43.92 16.63 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 40.14 36.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 1.0 110.609 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -75.8 -49.09 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.554 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' NE ' ' A' ' 69' ' ' ARG . 35.3 mt -120.91 135.45 24.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.46 167.3 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.755 2.303 . . . . 1.0 112.051 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -107.96 126.81 53.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.671 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.553 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 12.7 mt -84.3 21.84 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.7 130.09 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.73 -8.94 75.92 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 77' ' ' LEU . 61.4 mt -84.99 143.37 28.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 1.0 110.544 178.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.4 p -111.5 149.91 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 21.3 m-85 -116.51 146.34 37.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.468 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -70.23 146.57 57.65 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.743 2.296 . . . . 1.0 112.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -70.24 -40.35 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.764 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.47 -15.06 1.09 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 84' ' ' ALA . 54.8 t0 -71.87 -27.28 62.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 1.0 110.508 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.56 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.1 mm -111.82 102.63 53.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.586 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.8 Cg_exo -45.61 -117.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.863 2.376 . . . . 1.0 112.126 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -159.24 -54.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -46.33 -42.94 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.706 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -73.03 -46.5 51.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -54.13 -33.28 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.59 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.73 -33.61 76.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.465 HD13 HH22 ' A' ' 133' ' ' ARG . 39.0 mt -63.56 -33.39 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.541 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.492 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 16.6 m-85 -70.81 -35.85 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 38.5 mtm180 -86.39 -18.91 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.81 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 97' ' ' LEU . 82.4 mt -100.4 -48.7 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.163 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 -16.12 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.146 -173.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.591 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 1.3 mp0 43.33 56.82 4.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.806 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 100' ' ' VAL . 12.2 p -157.6 123.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.453 -178.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.689 HH11 ' HE ' ' A' ' 133' ' ' ARG . 15.3 tpt180 -165.27 127.16 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.454 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.2 t -145.73 150.71 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.63 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.532 HD12 ' OG ' ' A' ' 151' ' ' SER . 27.7 mt -109.59 127.41 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.622 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.64 172.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -52.87 118.24 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.42 -19.51 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.635 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -66.18 -42.57 88.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.413 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -61.71 -0.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.534 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.9 pt20 39.84 67.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.754 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -92.43 123.83 36.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.21 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.929 0.395 . . . . 1.0 110.993 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.576 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.857 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.689 ' HE ' HH11 ' A' ' 101' ' ' ARG . 9.0 mmm180 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.964 0.412 . . . . 1.0 110.562 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -48.79 142.04 19.86 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.943 2.429 . . . . 1.0 112.282 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.93 132.1 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.378 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.576 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -41.89 151.86 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.742 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -47.72 -12.05 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.941 2.427 . . . . 1.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -60.47 -46.8 88.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.6 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -24.25 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 45.0 t -58.67 -56.31 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.254 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -70.21 -50.13 43.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -47.75 -47.17 30.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.273 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.478 HD11 HD13 ' A' ' 103' ' ' ILE . 44.4 mt -71.91 -47.85 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.487 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -57.04 -43.17 81.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.566 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.6 p -66.88 -20.09 65.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.591 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.557 ' CE ' HH22 ' A' ' 50' ' ' ARG . 17.8 mmm -93.58 -3.24 53.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.81 21.47 68.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.19 142.64 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 1.0 110.674 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.37 -45.96 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.226 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.4 p -132.78 118.69 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.063 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.532 ' OG ' HD12 ' A' ' 103' ' ' ILE . 22.9 p -129.1 142.78 50.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.968 0.413 . . . . 1.0 110.948 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -101.7 133.15 46.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.069 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.15 127.66 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.086 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.7 t -131.86 117.57 16.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.019 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.67 152.41 33.16 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.945 2.43 . . . . 1.0 112.799 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 54.8 mt -115.45 111.96 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.155 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.0 ptm -135.17 158.53 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.0 110.682 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.639 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 83.8 t60 -132.31 127.97 36.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.435 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.631 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 4.8 m-70 59.44 -103.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -119.52 -6.61 10.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.48 -177.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.422 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 11.9 pt-20 -104.58 157.04 17.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.644 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.2 128.26 54.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.469 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.422 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 13.7 m95 -102.06 -43.72 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.71 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.55 -176.93 33.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -176.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.03 142.23 36.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.879 0.371 . . . . 1.0 110.683 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.9 tp -105.28 152.41 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.142 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 51' ' ' VAL . 15.0 p -158.53 134.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 1.0 111.046 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.3 p -117.54 141.83 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.124 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.636 ' HD2' ' HG3' ' A' ' 50' ' ' ARG . 29.0 m-70 -116.25 133.44 56.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.953 0.406 . . . . 1.0 111.052 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.714 ' ND1' ' N ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER -124.63 129.59 50.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.373 177.573 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -87.85 25.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 45.6 mt-10 -159.69 150.64 15.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.528 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.05 128.83 19.35 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.817 2.345 . . . . 1.0 112.282 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -165.74 91.96 0.86 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.374 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.07 163.63 3.13 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.901 2.401 . . . . 1.0 112.17 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -111.6 146.11 37.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.447 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 181' ' ' LEU . 89.2 p -106.16 158.57 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.642 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.75 -42.74 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.428 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 46.5 mp0 -60.42 -43.43 96.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 184' ' ' VAL . 79.0 mm-40 -83.76 -11.42 57.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.362 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 177' ' ' SER . 20.6 tp -72.56 -48.32 41.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.305 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.448 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 13.4 pt20 -69.9 -43.43 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.25 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 53.6 t -45.87 -54.54 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.107 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.652 HG13 ' N ' ' A' ' 185' ' ' GLN . 7.2 p -77.41 -52.52 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.652 ' N ' HG13 ' A' ' 184' ' ' VAL . 54.5 tp60 -51.14 -40.55 58.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.943 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 182' ' ' GLN . 28.6 tp -73.04 -45.52 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.938 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.3 -43.66 53.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 1.0 109.792 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.07 97.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.724 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.88 -36.44 76.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 1.0 109.794 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -69.32 -29.3 67.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.899 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.16 -48.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.061 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.5 m -53.71 -33.51 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.043 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 40.8 mt -68.68 -33.97 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.57 85.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.237 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.4 mt -56.42 -48.64 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.227 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.639 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -67.2 -49.86 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.26 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -60.54 -46.8 88.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.251 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.423 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.1 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.268 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -52.93 -42.41 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.474 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.79 -27.75 2.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.447 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 201' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 79.5 p -49.73 -59.91 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.904 -1.046 . . . . 1.0 110.52 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -53.94 -33.15 55.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.31 -47.85 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.619 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.06 -43.63 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 38' ' ' THR . 79.9 mt -61.83 -32.25 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' VAL . 60.0 ttp180 -75.14 -41.55 58.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.759 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.1 -29.95 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.721 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.4 t -71.0 -35.04 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.708 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -71.44 -23.44 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.71 -178.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.13 -44.2 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.72 -36.79 70.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.665 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 38' ' ' THR . 53.4 t -57.93 -53.54 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.733 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 47' ' ' GLY . 22.0 ttp-105 -52.76 -43.55 65.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.733 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.02 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.646 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.16 -38.13 89.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.591 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.69 -15.29 24.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.582 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.06 24.61 9.03 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 96.2 m -76.09 144.95 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.629 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' THR . 91.6 m-20 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.522 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.656 HH21 ' CG2' ' A' ' 148' ' ' VAL . 36.7 ptt180 -150.35 146.91 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.895 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.8 t -141.58 133.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.924 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.673 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 41.5 mttt -133.77 145.86 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 1.0 111.137 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 166' ' ' LEU . 62.1 t -98.27 138.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 1.0 109.857 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.548 ' O ' ' N ' ' A' ' 165' ' ' LEU . 17.5 t80 -121.15 119.52 32.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 1.0 111.204 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -93.32 133.87 36.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.991 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -99.64 132.16 45.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 1.0 110.928 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 61' ' ' HIS . 1.0 OUTLIER -101.18 150.9 37.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.465 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.48 -32.38 26.83 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.891 2.394 . . . . 1.0 112.127 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 98.0 mt-10 -79.05 -7.19 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.551 -177.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.68 -16.3 54.86 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.552 ' NE2' ' OD2' ' A' ' 57' ' ' ASP . 22.5 p-80 -80.1 152.77 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 1.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.33 163.82 26.0 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -136.1 159.93 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 1.0 110.601 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 t -92.42 108.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.631 178.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.4 t -105.75 -0.97 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.453 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -157.51 130.75 7.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.4 tm-20 -162.5 139.99 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.466 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.54 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.618 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.536 ' NE ' ' OE1' ' A' ' 72' ' ' GLU . 36.8 ptt180 -135.81 146.01 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.546 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.6 149.57 16.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.55 31.74 0.42 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' NE ' ' A' ' 69' ' ' ARG . 79.8 mm-40 42.45 18.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 40.0 ttm180 -58.24 -40.17 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.61 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 mt -118.19 120.1 32.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.612 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.29 167.8 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.728 2.286 . . . . 1.0 112.013 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 p -99.82 130.02 45.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.673 HD12 ' NZ ' ' A' ' 52' ' ' LYS . 18.4 mt -102.04 14.71 31.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.445 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.14 135.0 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.13 -9.17 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 77' ' ' LEU . 73.5 mt -83.98 144.98 28.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -105.83 134.65 48.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -105.53 113.9 63.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 1.0 110.456 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.03 145.16 5.44 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.649 2.233 . . . . 1.0 112.185 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.24 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.825 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.79 -20.6 8.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.72 -8.09 44.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.504 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.592 ' O ' ' O ' ' A' ' 88' ' ' PRO . 3.1 mt -134.99 101.4 11.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.631 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.592 ' O ' ' O ' ' A' ' 87' ' ' ILE . 82.4 Cg_exo -43.58 -117.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.889 2.392 . . . . 1.0 112.12 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -160.69 -41.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.535 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.66 -45.06 77.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.691 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' HD1' ' A' ' 95' ' ' PHE . . . -68.82 -36.35 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.795 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -63.87 -33.94 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.724 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -63.73 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.7 -35.77 73.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.55 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.491 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 86.8 m-85 -68.74 -34.78 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.433 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 84.2 mtm-85 -88.64 -20.21 25.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.848 -178.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.6 mt -95.46 -51.29 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.157 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.2 -12.33 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.147 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.599 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 1.1 mp0 45.54 51.1 10.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.88 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.0 t -152.94 119.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.458 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.448 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -167.46 126.04 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.48 178.097 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.9 t -145.07 152.3 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.673 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.543 HD12 ' OG ' ' A' ' 151' ' ' SER . 63.7 mt -106.67 126.64 62.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.56 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 105' ' ' ASP . 10.2 t -84.38 171.13 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.46 -177.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.633 ' H ' HG12 ' A' ' 104' ' ' VAL . 32.5 m-20 -52.24 116.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.615 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.03 -16.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -67.36 -42.59 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.399 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.1 -1.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.512 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.7 pt20 40.16 66.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.722 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.45 124.71 35.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.245 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -111.54 141.5 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.961 0.41 . . . . 1.0 111.077 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.439 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 1.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.949 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.869 0.366 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -47.54 139.82 17.22 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.925 2.417 . . . . 1.0 112.356 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 140' ' ' VAL . 2.1 m -87.37 159.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.352 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.2 OUTLIER -88.68 138.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.776 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -41.1 -32.53 1.04 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.9 2.4 . . . . 1.0 111.824 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -72.26 -34.44 68.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 178.078 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 136' ' ' ASP . 6.8 t60 -87.2 -25.6 23.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.099 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.483 HG22 HG23 ' A' ' 135' ' ' VAL . 70.5 t -57.38 -54.74 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.222 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -46.45 -44.65 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.34 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 mt -73.88 -45.08 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.436 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -55.41 -44.32 76.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.558 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -64.22 -16.53 62.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.622 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 36.4 mmm -96.44 -1.8 46.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.87 21.94 73.05 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.656 ' CG2' HH21 ' A' ' 50' ' ' ARG . 98.6 t -103.87 138.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 1.0 110.67 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.35 -52.86 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.202 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 44.2 p -132.83 114.59 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.986 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.543 ' OG ' HD12 ' A' ' 103' ' ' ILE . 70.8 p -131.82 145.72 51.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.049 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.5 mp -101.86 132.25 47.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.059 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.87 103.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 111.037 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 166' ' ' LEU . 91.6 t -108.15 120.67 46.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.108 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.24 159.07 26.46 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.949 2.433 . . . . 1.0 112.756 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.1 mt -123.09 111.98 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.124 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.7 ptm -133.45 157.7 44.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 1.0 110.679 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.443 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 82.2 t60 -132.62 123.21 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.549 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 66.96 -111.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.497 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -114.88 -7.12 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.514 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 162' ' ' LEU . 25.5 tp10 -102.89 154.05 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -176.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.503 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 16.3 tp -105.53 127.44 53.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.447 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 74.4 m95 -100.72 -40.34 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.633 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.54 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.89 -176.38 35.72 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -176.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.9 mp -138.68 146.56 41.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.338 . . . . 1.0 110.654 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -109.59 154.53 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.16 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -160.95 138.66 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 1.0 110.991 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 10.5 m -118.44 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.184 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.522 ' O ' ' CG2' ' A' ' 48' ' ' THR . 18.9 m80 -109.35 130.74 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.025 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.476 ' CD2' HG23 ' A' ' 48' ' ' THR . 0.7 OUTLIER -125.41 128.09 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.393 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.83 39.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -163.13 154.82 15.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.582 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 174' ' ' ARG . 53.4 Cg_endo -70.41 -99.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.734 2.29 . . . . 1.0 112.264 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 173' ' ' PRO . 17.9 mtp-105 56.47 131.11 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 1.0 110.349 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.19 162.6 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.809 2.339 . . . . 1.0 112.199 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -108.74 155.26 20.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.444 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 88.6 p -112.95 152.4 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLN . . . . . 0.509 ' N ' ' OE1' ' A' ' 178' ' ' GLN . 1.1 mp0 -63.38 -37.25 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.495 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.85 -58.31 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.338 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.13 -25.1 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.447 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.39 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.337 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.51 -52.07 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.274 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.22 -49.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.067 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -50.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.114 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -51.29 -40.23 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.92 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.46 -47.54 32.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.994 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.61 -45.39 57.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.82 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.67 98.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.824 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -60.99 -37.95 84.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.741 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -68.77 -30.31 68.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 42.6 t -75.54 -49.57 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.978 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.409 ' O ' ' CG1' ' A' ' 195' ' ' ILE . 26.5 p -51.66 -27.08 10.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.0 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 45.2 mt -76.67 -34.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.13 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.97 96.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.198 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.53 ' CG2' HD21 ' A' ' 35' ' ' LEU . 14.8 pt -68.32 -27.82 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.212 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -73.06 -52.62 13.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.279 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' A' ' 198' ' ' ALA . 3.4 pp0? -69.4 -37.18 77.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.256 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 197' ' ' GLN . . . -66.35 -36.26 82.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.86 -41.58 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.413 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.27 -33.1 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.3 m -52.99 -58.43 7.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.46 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.897 -1.049 . . . . 1.0 110.515 179.587 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 49.5 t0 -48.5 -34.09 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.652 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.73 -48.0 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mm -59.45 -46.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.616 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.547 ' O ' ' OG1' ' A' ' 38' ' ' THR . 38.0 mt -57.93 -31.38 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.591 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 39' ' ' VAL . 61.2 ttm-85 -65.91 -41.63 91.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.747 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -26.58 60.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.74 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.7 p -66.07 -37.98 87.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.617 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.18 -24.74 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.777 -179.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.2 -36.77 66.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.2 -37.37 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.761 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 38' ' ' THR . 55.5 t -58.67 -57.73 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.69 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.1 ptm180 -49.56 -42.76 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -58.49 -50.41 73.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.66 -43.21 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.529 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.63 -11.91 30.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 53.74 25.42 29.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 78.7 m -73.85 137.56 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 1.0 110.584 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.1 p30 -54.1 -40.65 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.466 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.578 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 39.1 ttt180 -144.32 128.92 18.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.881 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.46 132.83 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.971 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.64 152.5 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 1.0 111.23 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.565 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.9 t -96.89 138.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.928 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 165' ' ' LEU . 19.4 t80 -118.73 117.51 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 1.0 111.194 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -92.28 130.76 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.063 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 72.1 t80 -97.48 126.71 42.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 1.0 110.89 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 6.9 m-20 -94.04 162.16 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.4 -22.94 44.77 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.88 2.387 . . . . 1.0 112.1 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.51 1.69 54.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.582 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 97.17 -17.27 59.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.3 m-70 -77.72 149.61 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 1.0 110.638 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.29 159.68 24.82 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.5 p -135.02 157.96 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 1.0 110.547 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.434 HG13 ' H ' ' A' ' 79' ' ' GLY . 2.2 p -95.23 112.56 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.649 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.6 t -108.34 0.33 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.407 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.66 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.39 129.74 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.527 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.4 tt0 -162.1 142.09 10.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.57 142.52 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.602 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' A' ' 72' ' ' GLU . 36.6 ptt-85 -125.74 142.42 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.665 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.75 122.6 7.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 58.37 36.45 83.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG2' ' HE ' ' A' ' 69' ' ' ARG . 95.6 mt-10 42.43 18.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 1.0 110.55 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' GLY . 10.8 tpp180 -56.61 -44.73 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.555 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.58 121.14 43.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.597 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.517 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 77.6 Cg_exo -49.76 166.88 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.81 2.34 . . . . 1.0 112.004 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.7 t -96.41 141.12 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.664 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' HG ' HH22 ' A' ' 50' ' ' ARG . 17.3 mt -117.91 4.72 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.436 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.07 138.04 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.52 -176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.434 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.02 -7.17 82.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.774 -0.931 . . . . 1.0 110.774 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.2 143.75 27.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 1.0 110.55 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 m -103.62 131.7 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -100.99 137.71 19.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 39.2 Cg_endo -73.36 131.14 15.96 Favored 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 122.747 2.298 . . . . 1.0 112.137 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -56.32 -32.83 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.809 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.5 -18.66 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 37.2 p-10 -63.87 -23.6 67.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 1.0 110.461 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 20.2 mt -138.33 94.2 10.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.605 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 64.2 Cg_exo -34.51 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.849 2.366 . . . . 1.0 112.075 -178.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.9 tt0 -171.4 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -56.94 -43.95 82.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.602 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB1' HH12 ' A' ' 101' ' ' ARG . . . -70.3 -38.85 75.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.769 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -63.18 -33.32 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.03 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.21 -36.37 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.513 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.442 ' HZ ' HBA1 ' A' ' 301' ' ' CYC . 80.9 m-85 -68.33 -30.74 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.744 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -93.2 -21.36 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.837 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 66.3 mt -92.65 -49.82 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.136 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -10.99 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.131 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.462 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER 43.19 57.36 3.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.838 -178.819 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 100' ' ' VAL . 12.4 p -158.86 121.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.481 HH12 ' HB1' ' A' ' 91' ' ' ALA . 4.0 tpt180 -168.49 130.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.444 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.2 t -146.18 151.9 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.575 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.52 128.4 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 105' ' ' ASP . 11.3 t -85.44 172.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.445 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.672 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.4 t0 -52.75 116.81 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.527 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 140' ' ' VAL . 12.4 p -48.97 -14.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.5 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 105' ' ' ASP . 82.8 tt0 -67.73 -41.86 82.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.456 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -65.08 -2.24 2.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.558 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.2 pt20 39.49 68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.672 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 p -89.69 124.96 35.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.246 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -111.78 141.32 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 1.0 110.987 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.444 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -120.06 153.17 36.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.891 178.057 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 114' ' ' SER . 49.6 mt -152.53 159.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.021 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.53 ' N ' HG22 ' A' ' 113' ' ' ILE . 69.8 m -76.18 173.04 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.394 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -149.25 150.55 32.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 1.0 110.602 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.36 -29.66 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.886 2.391 . . . . 1.0 112.023 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -61.5 -37.09 82.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 119' ' ' TRP . 47.1 t 42.71 -113.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.504 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' SER . 75.4 t-105 43.83 96.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -79.83 155.09 38.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.4 mp -93.03 140.61 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.7 p -73.25 166.9 22.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.504 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.59 -42.1 87.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.57 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.24 155.24 60.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.631 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.53 152.63 26.2 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.859 2.373 . . . . 1.0 112.088 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 mt -51.33 -55.04 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.556 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.81 37.43 93.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -117.63 153.47 50.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 1.0 110.588 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.76 153.35 75.91 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.943 2.429 . . . . 1.0 112.241 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.79 -8.64 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.503 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -134.95 159.43 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.509 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -133.77 119.97 15.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.563 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 141.47 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 123.001 2.467 . . . . 1.0 112.27 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 135' ' ' VAL . 27.0 m -115.07 126.2 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.343 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -38.34 154.78 0.13 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.783 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.91 -38.12 93.57 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.003 2.469 . . . . 1.0 111.744 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.555 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -56.79 -30.55 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.591 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.444 ' NE2' ' NA ' ' A' ' 301' ' ' CYC . 1.6 t60 -86.58 -30.93 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.183 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.574 HG13 HG23 ' A' ' 106' ' ' VAL . 62.6 t -57.26 -52.2 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.258 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -60.99 -45.0 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -46.71 -43.69 18.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.336 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.57 -44.81 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.416 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -54.64 -45.01 73.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -62.78 -15.93 55.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.42 -3.03 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.11 23.08 66.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.4 t -107.79 140.16 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.631 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.45 -51.37 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.232 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.6 m -130.14 115.07 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.2 t -130.89 143.82 51.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 1.0 110.979 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.7 mp -102.77 131.74 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.043 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.0 t -111.04 104.33 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.052 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 21.0 t -107.48 122.78 40.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.005 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.11 152.93 24.59 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.929 2.42 . . . . 1.0 112.815 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.7 108.88 15.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.093 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.4 ptm -136.29 165.49 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 1.0 110.622 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.643 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 78.2 t60 -144.89 122.3 11.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.565 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 60.9 t60 76.3 -113.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.525 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -117.63 -4.26 11.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.498 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -106.8 158.66 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.588 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 27.9 tp -107.7 129.11 55.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -99.3 -42.68 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.705 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.28 -176.48 30.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.244 -0.743 . . . . 1.0 111.244 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -139.06 134.02 32.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.353 . . . . 1.0 110.721 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.565 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.7 tp -102.88 154.57 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.219 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.52 140.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 1.0 111.026 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 48.3 m -118.71 136.17 54.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.181 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.7 m-70 -109.15 126.57 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 1.0 111.044 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.437 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 74.3 m80 -122.83 123.99 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.37 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 172' ' ' GLU . . . -83.46 35.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.628 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 171' ' ' ALA . 1.3 pm0 -173.29 149.87 1.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.553 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.05 138.18 51.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.832 2.355 . . . . 1.0 112.186 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -167.46 93.28 0.68 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 158.19 8.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.845 2.363 . . . . 1.0 112.239 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -110.14 148.23 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.413 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 181' ' ' LEU . 46.3 m -107.33 154.13 21.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.628 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -53.55 -41.82 66.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.385 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -53.83 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.366 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.21 -31.54 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.383 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 177' ' ' SER . 58.3 tp -61.97 -39.5 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.234 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 186' ' ' LEU . 48.8 tt0 -65.2 -47.53 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.258 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.0 t -46.19 -54.32 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.101 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.646 HG13 ' N ' ' A' ' 185' ' ' GLN . 6.4 p -76.44 -52.56 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.189 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.646 ' N ' HG13 ' A' ' 184' ' ' VAL . 56.5 tp60 -52.3 -40.1 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 1.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.459 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 34.2 tp -74.44 -47.11 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.8 tp -49.51 -43.33 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.826 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.02 -38.67 89.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.768 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 190' ' ' GLN . 1.9 mp0 -67.51 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.888 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.61 -47.58 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.069 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.03 -33.64 57.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.982 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.73 -33.93 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.068 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.26 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.77 -34.46 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.187 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.643 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -74.98 -54.24 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.258 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.508 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 11.9 pt20 -63.53 -41.46 98.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.222 -176.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.2 -33.63 75.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.303 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -53.54 -43.96 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.407 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 42.2 mt -48.61 -35.78 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.443 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -56.68 -61.41 2.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.519 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.526 179.687 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.787 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' ' 35' ' ' LEU . 6.6 tp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 1.0 110.591 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -52.32 -32.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.673 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -50.44 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.692 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 38' ' ' THR . 96.7 mt -57.3 -47.68 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.643 ' CD1' HH21 ' A' ' 55' ' ' ARG . 41.5 mt -56.44 -32.11 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.593 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.549 ' O ' HG12 ' A' ' 39' ' ' VAL . 35.5 ttp180 -62.54 -41.93 99.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.789 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.09 -26.74 59.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.787 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 34' ' ' ILE . 75.0 p -67.75 -37.64 82.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.704 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.666 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -68.24 -26.26 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.702 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.17 -36.25 40.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.31 -53.24 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.691 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 43' ' ' ARG . 21.7 m -52.45 -46.04 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.813 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.778 ' O ' ' N ' ' A' ' 47' ' ' GLY . 45.0 ttp180 -47.76 -46.01 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -47.11 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -63.49 -41.6 98.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' A' ' 48' ' ' THR . 4.3 mt -95.94 -11.69 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.516 -178.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.778 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.62 28.19 3.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 46' ' ' LEU . 2.8 p -76.27 142.3 41.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 1.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -53.03 -41.51 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.506 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 47.2 ttt85 -143.56 135.31 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.897 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 p -147.49 132.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.006 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.629 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 10.4 pttm -136.61 151.37 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 1.0 111.225 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.5 t -98.9 139.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.851 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 165' ' ' LEU . 16.8 t80 -122.34 121.0 35.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.871 0.367 . . . . 1.0 111.265 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.643 HH21 ' CD1' ' A' ' 35' ' ' LEU . 38.3 ttm180 -100.27 140.06 35.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.94 139.05 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 1.0 110.857 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.0 m-20 -100.36 152.39 37.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.478 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -41.1 -45.99 5.27 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.831 2.354 . . . . 1.0 112.114 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.5 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.628 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 106.04 -7.23 40.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 70.2 m80 -76.87 148.74 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 1.0 110.599 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.93 160.52 24.62 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.8 p -137.06 160.54 38.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -91.87 108.61 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -107.03 -3.9 10.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.42 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.666 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.67 127.6 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.533 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' N ' HD21 ' A' ' 78' ' ' LEU . 13.9 tm-20 -162.06 141.33 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.412 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.19 138.21 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.647 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' OG ' ' A' ' 76' ' ' SER . 5.3 ptp180 -114.15 139.02 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.93 118.72 6.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 57.09 41.79 92.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 42.0 mp0 40.18 22.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 1.0 110.561 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 55.3 ttm-85 -60.09 -42.41 94.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.542 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HB2' HH11 ' A' ' 50' ' ' ARG . 77.7 mt -116.5 145.97 36.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.518 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.534 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 46.7 Cg_endo -68.96 167.88 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.754 2.303 . . . . 1.0 112.125 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.533 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 70.8 m -97.21 127.7 43.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.726 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' A' ' 80' ' ' LEU . 22.6 mt -97.38 12.81 31.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.46 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 67' ' ' GLU . 91.4 mt -60.4 132.85 55.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.17 -12.35 62.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 77' ' ' LEU . 65.0 mt -81.4 143.95 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.311 . . . . 1.0 110.601 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 m -104.98 131.71 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.29 140.08 20.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.445 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.8 Cg_endo -71.88 137.6 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.141 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -66.24 -33.31 75.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.76 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.6 -15.96 0.55 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 84' ' ' ALA . 49.1 p-10 -67.9 -21.54 65.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.417 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 63.4 mt -133.14 92.37 25.43 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 67.5 Cg_exo -35.44 -96.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.912 2.408 . . . . 1.0 112.035 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.512 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 83.8 tt0 -167.91 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -53.37 -44.76 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.666 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.667 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -70.1 -33.11 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.766 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -68.4 -32.73 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.512 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 93.2 mtt-85 -63.24 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.586 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.486 HD12 HH21 ' A' ' 133' ' ' ARG . 7.9 mt -61.64 -34.28 75.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.626 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CE2' ' HG2' ' A' ' 101' ' ' ARG . 4.5 m-85 -64.96 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.694 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 51.6 ttp85 -91.78 -20.12 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.78 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 97' ' ' LEU . 33.2 mt -90.87 -52.52 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.182 -175.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -109.18 -12.01 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.133 -173.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.617 ' C ' HH21 ' A' ' 101' ' ' ARG . 13.5 mp0 42.39 56.12 3.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.878 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 99' ' ' GLN . 5.8 m -156.54 109.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.448 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.617 HH21 ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -154.88 122.97 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -178.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.76 151.12 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.573 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.05 127.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.585 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.705 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.2 p -85.59 173.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.384 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.705 ' H ' HG22 ' A' ' 104' ' ' VAL . 67.6 t0 -50.06 117.85 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.79 -18.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.591 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -72.43 -38.06 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.437 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.75 -13.54 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.576 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 54.48 66.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.718 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -97.84 123.51 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.137 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -112.21 142.52 44.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.966 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -119.91 152.09 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.935 177.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.2 mt -149.63 157.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 1.0 111.011 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 m -73.59 168.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.453 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.88 68.26 0.28 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 1.0 110.675 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.826 2.351 . . . . 1.0 112.043 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 117' ' ' GLU . 47.8 mp0 -65.36 -34.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 119' ' ' TRP . 1.5 t 169.25 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.534 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.419 ' N ' ' OG ' ' A' ' 118' ' ' SER . 9.1 m-90 -58.68 -43.3 89.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.614 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.54 48.81 21.66 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 123' ' ' ALA . 45.1 mt -56.51 -29.17 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 1.0 110.578 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER 74.44 -19.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.49 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 121' ' ' LEU . . . -54.67 -19.17 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 125' ' ' VAL . 4.6 ptp180 37.72 -140.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.55 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 124' ' ' ARG . 7.5 p -135.68 131.74 19.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.585 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 127' ' ' LEU . 82.9 Cg_exo -45.41 135.81 11.94 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.837 2.358 . . . . 1.0 112.164 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 127' ' ' LEU . 8.6 mp 39.63 -163.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.72 38.16 8.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.69 151.04 46.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 1.0 110.628 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.467 ' C ' ' H ' ' A' ' 132' ' ' GLN . 44.5 Cg_endo -68.93 170.23 16.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.971 2.447 . . . . 1.0 112.234 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.1 mt -74.75 17.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.484 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -163.74 135.46 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.553 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.486 HH21 HD12 ' A' ' 94' ' ' LEU . 38.3 ttt-85 -113.46 96.12 38.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.615 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.446 ' O ' ' OG ' ' A' ' 112' ' ' SER . 73.5 Cg_exo -49.46 141.29 25.93 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.942 2.428 . . . . 1.0 112.28 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.65 131.52 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.337 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 138' ' ' CYS . 0.8 OUTLIER -42.0 145.35 0.75 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.725 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.27 -12.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.015 2.477 . . . . 1.0 111.75 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -63.15 -40.34 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.621 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.433 ' HD1' ' HG ' ' A' ' 143' ' ' LEU . 0.4 OUTLIER -85.31 -23.79 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.152 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.8 -64.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.214 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.24 -47.19 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.387 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -47.05 -46.16 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.325 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.433 ' HG ' ' HD1' ' A' ' 139' ' ' HIS . 40.4 mt -72.75 -47.09 49.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.558 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.4 p -64.9 -16.92 63.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.558 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 20.6 mmm -98.29 -3.74 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.54 21.51 66.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.84 141.33 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 1.0 110.622 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.98 -49.05 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.186 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.5 t -130.2 118.77 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.032 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.4 p -132.72 144.21 50.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.374 . . . . 1.0 110.975 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.5 tt -103.76 131.91 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.081 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.603 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 2.8 t -112.72 132.25 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.057 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 166' ' ' LEU . 4.9 t -134.48 124.02 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.061 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.503 ' HD3' ' NE ' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -78.08 149.8 25.76 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.935 2.423 . . . . 1.0 112.762 -175.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.1 mt -112.52 108.11 17.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.162 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.602 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 15.9 ptm -135.3 156.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 1.0 110.677 -174.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.544 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 27.6 t60 -127.43 122.63 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.504 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 68.8 t60 63.12 -104.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -116.59 -4.74 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.46 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -102.58 149.42 24.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.669 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -103.18 126.77 50.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.372 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -101.7 -43.68 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.686 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.99 -176.69 32.34 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.156 -0.778 . . . . 1.0 111.156 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.3 mp -138.28 136.3 36.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.362 . . . . 1.0 110.67 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.598 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.9 tp -102.58 151.78 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.463 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.6 p -157.58 137.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 1.0 111.069 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.51 131.98 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.106 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 169' ' ' HIS . 6.8 m-70 -104.5 131.33 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 1.0 111.048 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -125.73 127.69 46.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.339 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -86.51 35.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.683 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 67.0 mt-10 -158.56 147.82 14.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.488 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.45 136.38 19.44 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.792 2.328 . . . . 1.0 112.251 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -172.71 130.92 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.416 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.0 166.03 27.38 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 1.0 112.276 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -113.57 148.34 36.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.47 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 93.8 p -113.01 153.57 27.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.628 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.37 -37.84 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.421 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -69.6 -54.99 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.386 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -35.79 82.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.414 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.63 -38.65 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.312 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 186' ' ' LEU . 49.4 tt0 -60.16 -48.12 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.226 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.5 t -45.05 -52.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.038 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.26 -52.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.16 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -51.97 -34.82 44.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.931 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' GLN . 59.1 tp -75.74 -52.42 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.991 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 mt -50.39 -44.91 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.801 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.53 93.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.816 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -61.77 -37.72 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.739 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.21 -31.0 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.875 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.1 -48.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.025 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -34.16 61.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 1.0 109.95 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.93 -32.82 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.114 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.63 84.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.55 -33.56 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.229 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.544 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -75.23 -54.26 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.253 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.4 pt20 -63.84 -40.62 97.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.24 -176.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.53 -33.33 74.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.352 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.45 -44.63 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.429 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 200' ' ' LEU . 42.3 mt -49.64 -34.64 18.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 12.7 m -53.82 -59.8 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.549 179.592 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.667 HBD2 ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.25 -32.3 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.44 -49.3 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.657 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 38' ' ' THR . 96.5 mt -57.77 -50.26 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.66 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' ' OG1' ' A' ' 38' ' ' THR . 55.3 mt -56.92 -31.47 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.677 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.668 ' O ' HG12 ' A' ' 39' ' ' VAL . 23.8 ttm180 -64.07 -40.23 95.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.772 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.16 59.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.565 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 60.5 p -66.33 -36.71 83.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.652 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.764 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 2.3 p -67.92 -27.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.749 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.13 -39.67 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.46 -54.85 14.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.675 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 43' ' ' ARG . 26.9 m -51.89 -46.21 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.4 ttm180 -45.84 -45.0 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.674 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.82 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.577 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -60.66 -44.24 96.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.4 -9.92 34.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.469 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.01 26.92 0.94 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 36.9 m -75.1 142.45 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.807 0.336 . . . . 1.0 110.574 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -50.94 -43.27 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.453 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.536 HH21 HD13 ' A' ' 74' ' ' LEU . 14.7 mtt85 -144.08 135.69 25.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.952 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.56 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 9.1 p -143.74 133.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.897 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -135.29 149.64 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.001 0.429 . . . . 1.0 111.147 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.8 t -101.01 137.33 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.904 176.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 23.3 t80 -116.73 116.39 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 1.0 111.239 -177.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -94.58 136.18 35.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.048 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.54 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 1.0 110.926 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.9 m-20 -100.88 151.7 37.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.479 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.18 -45.52 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.827 2.351 . . . . 1.0 112.063 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.79 -8.15 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.589 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.89 -9.27 51.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.8 m80 -75.39 147.98 39.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 1.0 110.594 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.18 159.8 24.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 p -136.87 160.58 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.8 t -88.32 105.81 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -104.07 -5.94 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.447 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.44 122.53 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.536 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 65.1 tt0 -152.09 138.38 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.517 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HB1' ' NH2' ' A' ' 43' ' ' ARG . . . -132.97 133.73 43.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.631 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.523 HH21 ' CB ' ' A' ' 76' ' ' SER . 7.5 ptp85 -107.59 135.68 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.664 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.4 5.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 48.98 42.38 30.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 40.65 22.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 1.0 110.58 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 77.9 ttt180 -54.9 -46.28 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.615 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.536 HD13 HH21 ' A' ' 50' ' ' ARG . 5.5 mp -114.54 162.97 20.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.61 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.35 167.66 24.56 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.736 2.29 . . . . 1.0 111.995 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.523 ' CB ' HH21 ' A' ' 69' ' ' ARG . 25.5 t -97.92 122.23 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.612 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.608 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 27.9 mt -96.13 12.11 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.409 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.13 136.92 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.492 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.5 76.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 77' ' ' LEU . 84.5 mt -85.86 146.95 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 1.0 110.495 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -106.94 136.48 46.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.437 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -103.53 140.95 21.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.492 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -70.77 137.05 31.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.746 2.297 . . . . 1.0 112.168 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.18 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.11 -16.67 1.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -67.83 -27.65 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 1.0 110.543 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.637 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.2 mm -106.74 105.3 54.58 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.521 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.637 ' O ' ' O ' ' A' ' 87' ' ' ILE . 84.6 Cg_exo -47.12 -131.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.961 2.441 . . . . 1.0 112.048 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -145.55 -53.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -53.32 -42.92 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.636 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.92 73.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.774 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -61.89 -36.96 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.7 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -62.58 -35.62 80.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.73 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.527 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 89.8 m-85 -68.76 -32.57 72.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.7 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.443 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 34.0 ttm180 -86.43 -20.36 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.785 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.3 mt -101.9 -50.75 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.15 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 100' ' ' VAL . . . -103.97 -16.45 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.16 -173.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.606 ' O ' HG13 ' A' ' 100' ' ' VAL . 1.2 mp0 44.13 52.69 6.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.82 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 99' ' ' GLN . 13.1 m -160.01 128.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.371 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' NH2' ' O1D' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -172.44 129.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.483 177.467 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.67 153.02 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.646 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.71 127.79 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.655 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 105' ' ' ASP . 6.5 t -84.34 172.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.49 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.655 ' H ' HG12 ' A' ' 104' ' ' VAL . 59.7 m-20 -50.4 115.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.502 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.455 HG13 ' CG1' ' A' ' 140' ' ' VAL . 38.7 t -50.45 -15.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.9 tt0 -74.2 -36.93 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.8 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 54.05 66.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.292 176.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -111.87 140.57 46.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 1.0 111.016 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.471 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -126.44 162.43 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.813 178.184 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -164.08 171.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.938 0.399 . . . . 1.0 111.04 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.8 m -76.16 170.12 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.363 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 117' ' ' GLU . 60.7 mt-30 -156.12 148.69 17.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.665 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.54 -25.18 0.17 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.925 2.416 . . . . 1.0 112.008 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 115' ' ' GLN . 95.5 mt-10 -80.6 -174.11 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t 63.44 52.58 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.539 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -81.97 -22.17 36.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.12 -34.13 0.52 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.4 tp -89.19 136.31 33.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 1.0 110.596 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.7 t -139.34 -152.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.441 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.59 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -78.25 -4.48 48.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.566 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 68.1 -33.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.532 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 123' ' ' ALA . 17.6 t -135.16 132.46 20.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.5 123.62 5.82 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.752 2.302 . . . . 1.0 112.118 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 65.9 tp -177.43 132.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.44 40.06 24.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.23 108.36 57.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.4 160.97 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.959 2.439 . . . . 1.0 112.261 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.415 ' O ' ' OH ' ' A' ' 176' ' ' TYR . 54.2 mt -71.61 -28.0 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.504 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 132.32 46.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -178.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -122.46 141.36 34.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.573 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.16 142.07 18.98 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.927 2.418 . . . . 1.0 112.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 135' ' ' VAL . 33.6 m -114.96 127.49 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.376 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.471 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -36.91 140.39 0.44 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.784 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.22 -40.99 16.82 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.967 2.445 . . . . 1.0 111.788 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.499 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -53.34 -29.86 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.56 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.58 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 4.1 t60 -88.18 -28.9 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.14 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 106' ' ' VAL . 90.1 t -59.92 -49.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.235 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.91 -45.89 80.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.389 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -45.89 -41.57 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.269 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.23 -42.21 55.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.428 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -56.95 -45.23 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 t -63.13 -15.77 57.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.564 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 50.9 mmm -98.0 -1.22 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.9 20.9 72.52 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.7 t -107.1 140.96 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 1.0 110.696 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.85 -50.42 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.163 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.2 p -132.45 115.21 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.054 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.5 p -131.99 145.33 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.02 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.9 mp -101.67 130.57 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.074 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.9 t -112.72 106.67 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 1.0 111.018 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 t -109.67 122.34 39.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.023 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.77 153.26 33.44 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.911 2.407 . . . . 1.0 112.765 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 55.8 mt -115.72 110.26 18.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.103 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.441 ' HB3' HD12 ' A' ' 162' ' ' LEU . 0.5 OUTLIER -134.55 156.05 49.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 1.0 110.698 -175.246 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.63 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 43.0 t60 -123.35 122.21 37.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.493 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.624 ' CE1' ' CE1' ' A' ' 158' ' ' HIS . 46.2 m170 59.87 -99.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -119.12 -6.69 10.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -100.3 149.61 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.726 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 157' ' ' MET . 21.5 tp -102.1 125.76 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.47 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -101.56 -44.73 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.648 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.31 -177.87 33.8 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.266 -0.734 . . . . 1.0 111.266 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 54' ' ' TYR . 32.6 mt -134.79 137.42 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 1.0 110.709 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.493 ' CD1' HG22 ' A' ' 53' ' ' VAL . 9.8 tp -103.46 150.07 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.187 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 12.3 p -160.14 138.77 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 1.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.42 ' OG ' ' CB ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -115.56 138.61 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.151 177.475 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 48' ' ' THR . 10.4 m-70 -104.73 121.91 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.029 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.54 115.21 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.383 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -87.11 21.08 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -150.66 113.06 3.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.532 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.71 114.27 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.835 2.357 . . . . 1.0 112.262 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -151.92 102.03 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.17 156.76 7.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.859 2.373 . . . . 1.0 112.224 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.415 ' OH ' ' O ' ' A' ' 131' ' ' LEU . 24.1 p90 -106.85 149.62 27.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.456 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -86.18 151.76 23.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -75.63 -49.07 19.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.358 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 184' ' ' VAL . 78.6 mm-40 -67.17 -29.44 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.386 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.0 -43.0 81.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.343 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -75.39 -49.8 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.238 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 77.1 t -44.9 -49.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.047 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.68 HG23 ' N ' ' A' ' 185' ' ' GLN . 20.7 m -74.42 -51.32 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.168 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.68 ' N ' HG23 ' A' ' 184' ' ' VAL . 63.8 tt0 -48.04 -33.9 8.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 1.0 109.99 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.4 -42.83 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.966 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.68 -44.15 57.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.821 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.837 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -59.24 -36.97 76.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 109.756 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 1.4 tm0? -68.97 -30.77 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.807 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.2 t -75.82 -48.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.087 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -31.2 39.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.952 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -69.2 -34.85 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.125 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.87 88.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.265 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.245 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.63 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -65.03 -48.02 75.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.332 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.8 -47.58 85.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.194 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.63 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.307 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -55.22 -45.83 75.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.425 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.8 tp -49.03 -37.95 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 9.8 m -51.67 -59.9 3.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.553 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.755 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 tp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.851 0.357 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -52.01 -31.79 31.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.619 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.82 -48.59 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.721 ' O ' HG23 ' A' ' 38' ' ' THR . 21.5 mm -56.7 -51.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.685 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' ' 38' ' ' THR . 91.3 mt -56.4 -33.97 66.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.537 ' O ' HG12 ' A' ' 39' ' ' VAL . 55.0 ttp180 -64.02 -43.27 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.788 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.64 -26.82 60.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.781 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.0 p -68.19 -36.98 80.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.646 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.615 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.13 -24.13 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.719 -178.625 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.714 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.71 -32.94 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.722 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' THR . 52.7 t -63.04 -57.78 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.754 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 ptm180 -47.2 -42.01 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.735 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.43 -47.61 81.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.624 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.28 -42.54 99.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.554 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mt -93.91 -14.56 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.555 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 50.95 25.7 10.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -76.25 142.59 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 1.0 110.607 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -48.58 -44.12 36.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.502 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 54.2 ttt85 -145.66 133.67 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.876 -176.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.16 132.03 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.94 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.6 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 12.6 pttm -137.09 153.16 50.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 1.0 111.22 -176.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.704 HG22 ' CD1' ' A' ' 166' ' ' LEU . 46.0 t -97.34 139.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.863 176.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 165' ' ' LEU . 4.9 t80 -123.14 122.0 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 1.0 111.22 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.38 133.46 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.008 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' A' ' 57' ' ' ASP . 57.9 t80 -96.77 125.81 41.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 1.0 110.871 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 2.7 m-20 -90.44 151.88 44.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.461 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.94 -19.52 62.98 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.846 2.364 . . . . 1.0 112.061 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -90.76 -2.86 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -17.29 56.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 65.6 m80 -74.99 144.35 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 1.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.454 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -130.23 151.75 19.53 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -132.24 155.6 48.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.339 . . . . 1.0 110.517 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.5 t -94.97 111.8 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.668 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.24 -1.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.414 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.615 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.69 129.65 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.678 ' OE1' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -161.79 141.6 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.398 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.68 144.36 47.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.66 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.509 HH21 ' CB ' ' A' ' 76' ' ' SER . 3.5 ptp85 -125.64 141.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.478 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.53 119.0 6.36 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 61.38 39.57 97.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 40.48 21.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 1.0 110.596 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.8 ttm180 -59.84 -44.7 93.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -111.2 146.61 34.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.518 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.72 165.68 31.66 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.846 2.364 . . . . 1.0 112.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.509 ' CB ' HH21 ' A' ' 69' ' ' ARG . 45.5 p -96.11 135.48 37.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.709 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 16.1 mt -106.55 8.02 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.408 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.678 HD13 ' OE1' ' A' ' 67' ' ' GLU . 9.6 tp -52.75 129.41 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -13.58 64.59 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 77' ' ' LEU . 44.9 mt -80.73 141.16 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 1.0 110.565 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -113.22 152.62 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.508 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 18.2 m-85 -113.85 143.45 29.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.463 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.439 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.5 Cg_endo -71.82 146.4 47.95 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.755 2.303 . . . . 1.0 112.052 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -73.3 -38.95 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.801 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -18.05 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG23 ' A' ' 87' ' ' ILE . 33.1 p-10 -63.22 -35.96 82.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 1.0 110.505 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 86' ' ' ASP . 4.5 pt -157.13 139.88 10.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.552 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 90' ' ' GLU . 71.7 Cg_endo -79.05 150.59 23.28 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.905 2.404 . . . . 1.0 112.137 174.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' HA ' HH11 ' A' ' 92' ' ' ARG . 95.9 mt-10 -48.91 -16.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 88' ' ' PRO . 86.4 tt0 -47.08 -50.99 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.588 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -66.19 -28.04 68.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.795 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.438 HH11 ' HA ' ' A' ' 89' ' ' GLU . 79.8 mtt85 -72.93 -28.64 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.404 HH21 ' HG3' ' A' ' 90' ' ' GLU . 63.1 mtm180 -67.94 -49.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.573 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 7.1 mt -55.12 -38.87 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.571 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.641 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 6.9 m-85 -69.28 -22.82 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.71 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -93.91 -22.4 18.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.83 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 18.0 mt -89.04 -46.8 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.174 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.28 -15.79 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.221 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.632 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.3 OUTLIER 44.26 56.45 4.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.864 -178.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.8 m -160.06 123.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.347 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -177.68 130.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.507 177.771 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.505 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 4.0 m -144.13 155.98 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.579 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 143' ' ' LEU . 41.6 mt -105.86 129.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 105' ' ' ASP . 7.9 t -85.04 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.4 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.694 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.8 t0 -51.02 117.03 2.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -51.03 -16.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.2 tt0 -71.87 -37.64 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.396 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.22 -13.7 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 52.93 69.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.741 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.7 m -91.09 120.54 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.269 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -109.32 138.2 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 1.0 110.952 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.6 p -115.72 147.05 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.828 -0.623 . . . . 1.0 109.862 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.8 mt -147.25 153.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.969 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -77.09 169.23 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.432 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.29 72.97 3.0 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -47.25 108.02 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.839 2.36 . . . . 1.0 112.043 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -171.21 -72.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.495 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.0 p -155.76 151.65 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.565 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.3 p90 -151.2 169.66 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.89 127.66 35.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.48 -35.46 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 1.0 110.552 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 t 170.05 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.36 43.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.554 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 56.24 -153.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.573 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.83 153.09 76.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.554 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.594 ' O ' ' C ' ' A' ' 127' ' ' LEU . 30.3 Cg_endo -64.07 126.63 17.57 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.785 2.323 . . . . 1.0 112.117 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 126' ' ' PRO . 50.0 mt 23.16 -113.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.564 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.42 7.3 87.98 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -153.7 154.21 29.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 1.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 132' ' ' GLN . 82.1 Cg_exo -47.05 140.41 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.92 2.413 . . . . 1.0 112.198 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.19 12.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 130' ' ' PRO . 30.8 mt-30 -124.93 129.0 49.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -132.6 151.06 77.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.638 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.53 142.75 26.67 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.908 2.406 . . . . 1.0 112.329 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 135' ' ' VAL . 21.9 m -116.98 130.11 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.41 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 112' ' ' SER . 11.2 t70 -41.71 138.32 1.74 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.695 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -41.54 -18.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.942 2.428 . . . . 1.0 111.769 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.951 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.6 OUTLIER -63.41 -40.15 96.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.561 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.68 -30.07 25.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.119 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.41 -60.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -61.57 -43.65 98.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.358 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -45.94 -41.07 11.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.276 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 103' ' ' ILE . 15.3 mt -74.54 -43.96 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.434 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.4 m -63.43 -17.47 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.547 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 24.5 mmm -95.56 -0.04 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.83 21.86 73.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.1 t -109.43 142.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 1.0 110.678 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.07 -42.33 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.207 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.2 p -137.97 122.01 17.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.096 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -130.88 141.37 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 1.0 110.973 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 152' ' ' LEU . 7.8 mp -104.13 135.29 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.044 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.87 125.31 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 1.0 110.998 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.94 114.48 16.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.977 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 165' ' ' LEU . 74.4 Cg_endo -75.02 153.61 41.8 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.007 2.471 . . . . 1.0 112.755 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 48.3 mt -116.59 110.71 18.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.09 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.6 ptm -137.42 162.74 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 1.0 110.712 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 49.0 t-80 -145.86 122.58 11.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.466 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 15.2 t-80 77.18 -115.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.516 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -117.72 -4.1 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.447 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.456 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 15.6 pt-20 -106.03 157.53 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.63 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.02 129.79 55.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.457 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.456 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 16.6 m95 -101.4 -42.25 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.734 -177.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.48 -176.66 35.66 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.4 mp -139.76 142.82 36.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.704 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.4 tp -105.94 155.39 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.124 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.88 137.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 1.0 111.027 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 p -117.42 134.47 54.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.136 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -117.05 136.42 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.964 0.412 . . . . 1.0 111.101 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -135.1 150.26 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.363 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.41 -21.81 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.662 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -113.02 157.5 40.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 174' ' ' ARG . 10.0 Cg_endo -50.15 -71.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.89 2.393 . . . . 1.0 112.222 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 173' ' ' PRO . 44.6 ttt85 50.66 103.1 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 1.0 110.431 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.51 165.95 20.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.829 2.353 . . . . 1.0 112.189 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -107.25 140.04 40.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.461 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 21.9 t -88.59 152.98 21.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.671 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -55.19 -35.5 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.445 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 183' ' ' VAL . 47.1 mp0 -75.35 -47.49 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.444 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 181' ' ' LEU . 1.4 tt -55.5 -56.88 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.289 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -63.89 -48.6 76.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.187 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 179' ' ' GLU . 53.7 t -45.51 -51.27 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.126 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 68.2 t -74.77 -53.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.16 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -48.38 -36.44 14.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 41.3 tp -73.54 -43.38 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.994 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.11 -45.71 64.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.788 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.13 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.767 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.69 -35.54 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.78 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.5 -28.63 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.855 -0.612 . . . . 1.0 109.825 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.87 -49.72 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.127 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.3 p -53.69 -32.54 52.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.019 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 35.1 mt -68.05 -33.04 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.106 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.262 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.4 mt -55.65 -53.23 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.218 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.502 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -63.66 -47.44 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.292 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.84 -46.22 91.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.263 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.42 73.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.271 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -52.73 -41.94 64.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.465 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.56 -35.66 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 25.4 t -54.51 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.951 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.852 0.358 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 67.4 t0 -48.88 -32.83 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.42 -48.33 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.643 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mm -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' ' OG1' ' A' ' 38' ' ' THR . 28.6 mt -58.66 -32.05 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.614 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 39' ' ' VAL . 60.9 ttp180 -64.87 -39.83 94.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.744 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.36 -26.55 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.709 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 42' ' ' VAL . 43.6 p -66.6 -38.08 86.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.654 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.632 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -71.91 -24.4 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.753 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.18 -41.51 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.46 -33.51 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.768 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 38' ' ' THR . 34.7 t -64.16 -59.22 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.749 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.691 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ptm180 -47.59 -41.71 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -55.42 -45.03 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.688 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.614 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 184' ' ' VAL . 10.7 mt -94.03 -11.62 30.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.509 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.691 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.91 27.3 20.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.1 142.31 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 1.0 110.618 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 46.0 p-10 -61.88 -31.62 71.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 14.5 ttt180 -144.16 123.5 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.93 -176.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 t -141.67 130.09 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.914 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.583 ' HZ2' ' HB2' ' A' ' 77' ' ' LEU . 43.4 mttt -134.47 151.07 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 1.0 111.211 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 166' ' ' LEU . 59.1 t -98.96 137.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.882 175.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 165' ' ' LEU . 20.9 t80 -118.17 117.17 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.427 . . . . 1.0 111.204 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -97.34 137.79 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.973 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' NH2' ' A' ' 92' ' ' ARG . 0.3 OUTLIER -100.52 137.92 38.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 1.0 110.938 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.5 m-20 -101.04 151.79 37.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.494 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -41.6 -45.84 6.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.781 2.321 . . . . 1.0 112.105 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.8 -8.42 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -9.25 50.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' ASP . 74.2 m80 -75.7 149.19 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 1.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.424 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.99 159.37 23.94 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -135.96 159.74 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 1.0 110.581 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.1 t -88.68 106.11 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -104.01 -5.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.4 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.632 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.01 124.18 6.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -156.36 139.63 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.487 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.48 142.51 45.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.656 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -125.33 142.95 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.642 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.32 140.01 14.67 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.19 36.43 1.31 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 48.6 mp0 41.34 20.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.667 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 71' ' ' GLY . 19.6 tpt180 -57.25 -43.92 83.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.581 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.58 148.13 37.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.53 160.32 50.21 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.786 2.324 . . . . 1.0 112.084 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -95.08 117.28 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 37.8 mt -95.88 14.35 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.413 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.73 136.5 57.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.0 -7.51 80.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 77' ' ' LEU . 77.8 mt -87.02 146.95 25.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 1.0 110.62 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 t -107.11 137.83 44.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.381 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -105.38 140.46 21.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -71.68 143.19 41.39 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.786 2.324 . . . . 1.0 112.137 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.45 89.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.824 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.9 -19.01 3.15 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.54 -25.89 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 39.7 mt -116.62 94.82 44.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.574 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 98.5 Cg_exo -41.41 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.836 2.357 . . . . 1.0 112.125 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 44.1 tp10 -161.27 -50.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -49.57 -44.36 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.633 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.45 76.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' NH2' ' CD2' ' A' ' 56' ' ' PHE . 76.5 ttt180 -65.43 -33.18 75.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.63 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -63.72 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.611 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 10.0 mt -59.14 -36.39 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 68.3 m-85 -67.83 -30.64 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.718 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -93.34 -22.19 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.831 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 122' ' ' SER . 34.9 mt -91.46 -49.64 6.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.196 -175.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -12.98 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.209 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.627 ' O ' HG13 ' A' ' 100' ' ' VAL . 6.2 mp0 44.84 56.94 4.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.831 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.7 m -160.31 122.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.397 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -172.6 133.36 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.522 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.2 p -144.77 155.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.6 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.431 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 53.0 mt -109.31 129.25 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.628 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.722 HG22 ' H ' ' A' ' 105' ' ' ASP . 5.4 p -86.33 174.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.408 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.722 ' H ' HG22 ' A' ' 104' ' ' VAL . 66.1 t0 -51.57 116.32 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 106' ' ' VAL . 37.5 t -50.71 -13.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 105' ' ' ASP . 42.3 tp10 -76.94 -35.23 57.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.446 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.29 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 53.81 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.76 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -95.44 123.39 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.257 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -112.12 141.18 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.99 0.424 . . . . 1.0 110.957 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t -134.21 110.42 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.876 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.745 HG22 ' N ' ' A' ' 114' ' ' SER . 67.1 mt -113.7 173.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.966 0.412 . . . . 1.0 110.989 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.745 ' N ' HG22 ' A' ' 113' ' ' ILE . 33.9 t -79.03 169.78 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.477 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -132.11 152.61 80.49 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.04 -36.9 27.97 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.83 2.354 . . . . 1.0 111.982 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -103.85 127.15 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.8 m -123.86 142.23 51.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.562 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -112.53 142.3 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.509 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.58 108.68 0.74 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.39 138.98 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 1.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.718 ' O ' HD22 ' A' ' 97' ' ' LEU . 1.9 t 171.94 -56.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.469 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.635 ' O ' ' C ' ' A' ' 124' ' ' ARG . . . -79.52 -21.18 45.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.635 ' C ' ' O ' ' A' ' 123' ' ' ALA . 49.5 ttt85 -16.35 113.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.597 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.96 162.79 27.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.49 141.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.832 2.355 . . . . 1.0 112.068 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 127' ' ' LEU . 6.7 mp 55.39 -96.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.558 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.69 2.74 86.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -142.33 155.87 64.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 1.0 110.562 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 132' ' ' GLN . 84.6 Cg_exo -45.09 166.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.942 2.428 . . . . 1.0 112.27 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.5 mt -54.97 -2.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.456 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.566 ' H ' ' C ' ' A' ' 130' ' ' PRO . 40.0 mm-40 -132.9 137.73 46.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.541 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -110.61 119.56 46.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.513 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 138.74 17.56 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.961 2.44 . . . . 1.0 112.256 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' ASP . 14.9 m -121.37 133.18 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.35 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.546 ' OD1' HMD2 ' A' ' 301' ' ' CYC . 0.4 OUTLIER -38.83 140.57 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.712 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.05 -33.63 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.997 2.465 . . . . 1.0 111.71 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.483 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -59.94 -32.0 70.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.546 -178.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.538 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 2.4 t60 -86.87 -32.02 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.178 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.18 -53.35 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.45 -44.23 96.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -45.5 -42.99 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.335 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.57 -42.72 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.508 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -55.53 -44.65 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.577 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.6 m -63.78 -17.29 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.2 mmm -95.21 -3.21 48.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.7 21.09 69.7 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.14 139.24 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 1.0 110.686 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.08 -53.77 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.252 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.7 p -129.59 114.56 16.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.6 p -130.84 144.34 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 1.0 110.992 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.73 133.95 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.05 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.25 128.85 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.082 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 37.0 t -133.2 123.86 18.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 1.0 109.987 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.98 150.74 18.23 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.916 2.41 . . . . 1.0 112.773 -175.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.9 mt -115.22 108.19 16.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.161 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.8 ptm -137.02 154.67 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 1.0 110.695 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.58 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 67.9 t60 -135.79 123.03 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.448 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 19.5 t-80 78.34 -116.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.59 -3.75 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.449 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -106.38 158.81 16.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.627 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 28.9 tp -106.53 128.56 54.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.475 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -99.11 -41.59 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.7 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.59 -176.8 32.06 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -137.28 134.16 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.812 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -104.21 152.6 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.131 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -161.52 139.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 1.0 111.043 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.6 p -118.49 133.78 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.171 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.459 ' ND1' ' NE ' ' A' ' 50' ' ' ARG . 25.9 m80 -109.74 134.31 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 1.0 111.047 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.45 130.08 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.372 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.26 35.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.626 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -157.67 149.59 17.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.538 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 174' ' ' ARG . 37.9 Cg_endo -67.31 -4.45 11.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.794 2.329 . . . . 1.0 112.187 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 173' ' ' PRO . 50.8 ttt85 -34.82 99.66 0.17 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.367 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 173' ' ' PRO . 50.7 Cg_exo -54.79 163.17 4.22 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.801 2.334 . . . . 1.0 112.228 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.92 146.27 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.389 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.5 m -87.73 151.15 23.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.53 -25.12 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.48 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 183' ' ' VAL . 96.2 mt-10 -70.41 -56.26 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.409 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 184' ' ' VAL . 96.7 mt-10 -67.28 -26.73 66.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 56.8 tp -54.26 -51.65 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.309 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.33 -54.78 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.258 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 179' ' ' GLU . 65.4 t -43.8 -41.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.1 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 180' ' ' GLU . 97.4 t -75.63 -50.17 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.15 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -48.99 -36.89 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.894 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.9 -44.3 61.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.982 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 191' ' ' VAL . 61.0 tp -50.22 -45.09 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.809 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.33 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.731 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -61.46 -37.98 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.789 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -68.07 -31.08 70.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.842 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 187' ' ' LEU . 67.4 t -75.72 -49.16 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.04 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 22.4 p -52.83 -30.58 34.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.989 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.5 mt -68.53 -35.57 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.133 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.39 87.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.298 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.6 mt -54.77 -54.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.225 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.58 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.46 -48.4 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.247 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -60.86 -47.54 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.254 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.02 -34.52 78.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.337 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.29 -40.04 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.22 -31.13 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.385 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -53.86 -59.9 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.487 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.519 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.764 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -53.02 -32.12 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -77.99 -47.37 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.643 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 38' ' ' THR . 20.9 mm -57.65 -51.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.602 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' ' 38' ' ' THR . 85.4 mt -57.58 -37.35 73.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' HG12 ' A' ' 39' ' ' VAL . 74.7 mtt-85 -63.26 -42.89 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.793 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.59 -26.45 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.735 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 34' ' ' ILE . 79.2 p -70.44 -37.69 74.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.709 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.709 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -72.18 -24.36 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.705 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.61 -45.51 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.44 -37.38 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 38' ' ' THR . 55.2 t -57.48 -53.66 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.722 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 47' ' ' GLY . 67.1 ttp85 -51.82 -44.46 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.682 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.19 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.646 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.33 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.3 -14.22 25.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.476 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.739 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.64 25.0 4.41 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -178.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 5.4 t -75.95 145.19 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 1.0 110.606 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 92.8 m-20 -39.95 -51.34 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.619 HH21 ' CG2' ' A' ' 148' ' ' VAL . 27.6 ptt180 -152.51 147.95 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.894 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 p -145.75 135.58 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.928 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HZ1' ' NH1' ' A' ' 50' ' ' ARG . 28.6 mttp -134.9 149.56 50.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 1.0 111.19 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.72 HG22 ' CD1' ' A' ' 166' ' ' LEU . 46.5 t -99.34 138.24 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.881 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.8 t80 -117.18 114.49 23.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.009 0.433 . . . . 1.0 111.179 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -93.75 136.16 34.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.997 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -100.87 139.35 36.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.888 0.375 . . . . 1.0 110.885 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.4 m-20 -101.74 151.05 37.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.473 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -41.72 -45.43 6.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 1.0 112.062 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.51 -7.7 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.04 55.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.2 m80 -74.2 147.3 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 1.0 110.606 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.68 159.91 24.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 p -137.07 161.04 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 1.0 110.566 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -90.37 107.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.654 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.06 -3.41 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.431 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.709 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.99 127.1 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -161.87 141.66 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.499 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.38 136.69 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.625 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -111.47 139.56 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.591 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.83 130.3 10.24 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.36 41.47 5.18 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 40.76 18.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 1.0 110.557 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 71' ' ' GLY . 96.5 mtt180 -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.528 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 73' ' ' ARG . 8.5 mp -117.45 153.94 50.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.582 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.53 168.15 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.765 2.31 . . . . 1.0 112.087 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -98.35 146.42 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 80' ' ' LEU . 22.6 mt -114.8 15.45 17.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.85 133.67 53.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.517 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.85 71.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 77' ' ' LEU . 74.8 mt -82.82 143.03 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 1.0 110.504 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 81' ' ' THR . 14.1 t -103.89 132.31 50.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.463 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.9 112.47 63.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.444 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -45.39 147.41 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.753 2.302 . . . . 1.0 112.108 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.65 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.76 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.56 -20.5 7.65 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.82 -6.18 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 110.509 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.88 131.97 20.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.614 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.07 -113.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.896 2.397 . . . . 1.0 112.09 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -164.85 -49.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.574 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -49.22 -45.83 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.67 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.23 75.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.454 ' NH1' ' CE2' ' A' ' 56' ' ' PHE . 31.5 ttp180 -64.32 -32.57 74.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.7 mtm180 -63.92 -39.05 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.573 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.437 ' HB3' HH11 ' A' ' 101' ' ' ARG . 13.8 mt -58.06 -36.76 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.557 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.464 ' CE2' HBA2 ' A' ' 301' ' ' CYC . 75.1 m-85 -68.01 -29.98 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.702 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -93.32 -22.25 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.809 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 97' ' ' LEU . 41.2 mt -90.74 -50.03 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.2 -175.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.8 -8.94 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.158 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.408 ' OE1' ' C ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER 41.81 57.26 3.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.874 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.1 p -160.97 120.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -165.72 132.1 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.481 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.77 152.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.2 126.89 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.624 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.4 p -84.84 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.459 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.679 ' H ' HG22 ' A' ' 104' ' ' VAL . 40.9 m-20 -52.26 115.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.554 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -49.74 -14.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.3 tt0 -73.44 -36.41 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.411 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.17 -15.09 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.517 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 53.61 67.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.713 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.0 p -97.27 124.69 41.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.211 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -113.66 143.0 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 111.046 -176.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.657 ' HG ' ' HA ' ' A' ' 135' ' ' VAL . 0.1 OUTLIER -121.7 156.16 33.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.864 177.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.564 HG22 ' N ' ' A' ' 114' ' ' SER . 40.7 mt -154.33 161.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.992 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.564 ' N ' HG22 ' A' ' 113' ' ' ILE . 66.9 m -76.33 172.03 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.422 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 113' ' ' ILE . 22.0 mp0 -143.92 151.8 53.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.591 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -40.05 -34.68 1.0 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.835 2.357 . . . . 1.0 112.05 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -136.76 160.69 38.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.49 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.6 p -119.55 149.08 42.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -152.07 -170.92 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.07 64.53 0.68 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.8 mp -60.71 -34.47 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.359 . . . . 1.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 121' ' ' LEU . 4.3 p 72.25 -56.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.496 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' N ' ' OG ' ' A' ' 122' ' ' SER . . . -56.24 -6.72 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.547 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 122' ' ' SER . 52.3 ttm-85 -132.73 -45.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.2 t -117.39 95.98 48.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.595 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.63 171.97 1.72 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.78 2.32 . . . . 1.0 112.12 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.452 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 61.3 mt 49.06 -108.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.531 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.75 -9.69 70.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -144.86 161.42 43.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 110.594 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.655 ' C ' ' H ' ' A' ' 132' ' ' GLN . 10.0 Cg_endo -50.53 168.75 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.948 2.432 . . . . 1.0 112.248 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.44 12.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.492 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.655 ' H ' ' C ' ' A' ' 130' ' ' PRO . 53.9 mm-40 -140.36 159.61 41.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.538 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -128.7 86.09 58.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.624 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.448 ' O ' ' OG ' ' A' ' 112' ' ' SER . 50.8 Cg_exo -51.14 139.96 41.96 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.934 2.422 . . . . 1.0 112.272 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.657 ' HA ' ' HG ' ' A' ' 112' ' ' SER . 11.4 m -113.84 127.32 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -37.99 151.31 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.751 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.12 -27.62 75.12 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.964 2.443 . . . . 1.0 111.764 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.6 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.493 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 13.4 t60 -86.84 -26.53 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.138 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 56.5 t -57.57 -54.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.31 -44.79 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -47.47 -45.78 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.3 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.98 -46.65 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.436 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.13 -44.7 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.538 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -63.29 -17.14 62.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.1 mmm -96.4 -2.25 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.472 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.5 67.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.619 ' CG2' HH21 ' A' ' 50' ' ' ARG . 69.0 t -104.69 137.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 1.0 110.66 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.34 -56.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.181 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.9 t -130.97 114.13 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.093 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.422 ' OG ' ' CG1' ' A' ' 148' ' ' VAL . 45.8 m -130.46 144.67 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.386 . . . . 1.0 110.986 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.34 132.18 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.086 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.63 128.22 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 1.0 111.004 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.85 117.66 16.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.99 156.07 34.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.954 2.436 . . . . 1.0 112.815 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.4 HD23 ' OG ' ' A' ' 192' ' ' SER . 25.3 mt -120.04 111.69 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.202 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.1 ptm -133.6 152.97 52.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 1.0 110.69 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 79.0 t60 -132.37 122.18 24.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.513 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.526 ' ND1' ' N ' ' A' ' 160' ' ' GLN . 41.3 t-80 74.41 -113.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.515 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.526 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 14.3 pt20 -117.02 -5.81 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.465 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 163' ' ' TRP . 10.2 pt-20 -106.14 161.71 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.633 -176.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.7 tp -108.97 130.07 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.417 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 161' ' ' GLU . 74.1 m95 -101.01 -41.68 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.685 -178.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.84 -175.65 34.09 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.171 -0.772 . . . . 1.0 111.171 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 mp -139.42 144.16 37.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 1.0 110.672 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.72 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.9 tp -109.34 154.76 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.178 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.77 140.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 111.054 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.6 m -119.1 131.41 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.134 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.503 ' O ' ' OG1' ' A' ' 48' ' ' THR . 23.5 m80 -106.66 133.78 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.029 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -125.94 126.83 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.394 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.429 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -86.48 22.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.602 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 66.5 mm-40 -152.48 151.1 26.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.582 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.28 132.95 27.06 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.839 2.359 . . . . 1.0 112.232 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -172.61 96.66 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.388 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.6 163.72 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.882 2.388 . . . . 1.0 112.177 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.71 148.58 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 181' ' ' LEU . 49.5 m -103.88 151.18 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.605 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.93 -40.71 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.438 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' A' ' 179' ' ' GLU . 47.9 mp0 -64.41 -55.82 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.442 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.44 -36.54 81.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.38 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 177' ' ' SER . 47.5 tp -62.11 -37.88 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.308 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -69.97 -52.52 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.234 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 71.4 t -44.44 -44.61 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.085 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.63 -50.39 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.164 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -47.89 -34.55 9.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.926 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.82 -43.74 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.949 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.3 tp -51.29 -45.24 62.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.846 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.58 98.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.789 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -60.76 -36.64 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.708 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.865 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.53 -48.4 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.069 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.4 ' OG ' HD23 ' A' ' 156' ' ' LEU . 1.3 m -50.95 -28.37 9.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.958 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.58 -33.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.124 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.95 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 196' ' ' ALA . 14.5 pt -67.61 -26.93 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.185 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -76.53 -54.58 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.19 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -36.57 82.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.276 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.21 76.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.308 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -53.04 -42.34 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.473 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 46.5 mt -48.43 -35.82 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -49.88 -59.51 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.467 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.522 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.711 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.7 -30.9 34.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -77.19 -48.89 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 38' ' ' THR . 21.4 mm -57.42 -51.19 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.536 ' O ' ' OG1' ' A' ' 38' ' ' THR . 78.1 mt -57.33 -32.12 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.595 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.609 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.9 ttp180 -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.746 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.91 59.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.717 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 34' ' ' ILE . 61.4 p -66.79 -36.87 83.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.669 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.7 p -71.12 -25.14 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.715 -179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 77.6 mm-40 -69.98 -37.57 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.725 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -78.99 -40.73 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 38' ' ' THR . 44.4 t -53.8 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.768 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 18.6 ptt180 -49.82 -43.4 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.742 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.51 -48.78 78.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.655 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.93 -42.83 99.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -93.89 -12.25 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.493 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.21 26.3 12.89 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 ' CE1' ' A' ' 170' ' ' HIS . 33.0 m -75.43 140.0 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 1.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -53.58 -41.18 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.485 -177.189 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.695 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 16.0 ttt-85 -144.12 130.53 19.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.92 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.8 p -148.85 134.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.94 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 2.6 pttt -138.52 157.29 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.058 0.456 . . . . 1.0 111.188 -177.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 166' ' ' LEU . 76.7 t -99.25 139.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.916 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 165' ' ' LEU . 14.7 t80 -121.15 121.11 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 1.0 111.194 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -98.64 139.04 34.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.024 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 135.29 42.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 1.0 110.945 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' HIS . 3.9 m-20 -98.43 151.99 37.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.5 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.73 -45.01 6.66 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.884 2.389 . . . . 1.0 112.02 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.2 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 105.64 -8.08 43.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.574 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.5 m80 -77.2 149.5 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 1.0 110.61 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.41 162.06 25.37 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -136.42 159.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 80' ' ' LEU . 9.8 p -94.29 110.47 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.604 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -110.1 -0.74 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.657 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.14 129.34 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.549 -178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE2' ' N ' ' A' ' 78' ' ' LEU . 9.5 pt-20 -164.94 143.52 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.441 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HH11 ' A' ' 43' ' ' ARG . . . -134.53 144.83 48.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.677 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -111.52 135.12 52.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.56 117.8 4.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.77 40.84 34.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 41.99 41.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 1.0 110.679 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -81.16 -47.18 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.489 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 135.05 19.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.8 162.04 1.17 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.821 2.347 . . . . 1.0 112.057 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.44 ' HA ' HH21 ' A' ' 50' ' ' ARG . 22.4 p -90.27 127.1 36.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.624 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.695 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 33.0 mt -106.02 10.48 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.446 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.539 ' N ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 tp -59.25 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.474 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.552 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 89.23 -7.1 82.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 64' ' ' VAL . 83.6 mt -85.76 140.17 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 1.0 110.52 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -104.99 139.82 39.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.482 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -109.41 139.43 21.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.459 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.518 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 38.2 Cg_endo -73.15 148.04 43.68 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.761 2.308 . . . . 1.0 112.184 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' O ' ' OD1' ' A' ' 86' ' ' ASP . . . -72.38 -33.11 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.46 -16.27 0.32 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.518 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 21.1 p-10 -63.01 -11.97 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 1.0 110.494 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.581 HG21 HBA2 ' A' ' 301' ' ' CYC . 3.4 pt -149.08 106.12 3.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.517 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 93.7 Cg_exo -41.58 -86.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.875 2.384 . . . . 1.0 112.163 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.6 tt0 -173.54 -23.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.525 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.76 -46.45 65.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.55 77.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.764 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -62.86 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.705 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -63.33 -37.7 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.38 -37.05 76.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.589 -178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.514 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 84.4 m-85 -66.77 -30.19 70.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.681 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.662 ' C ' HE22 ' A' ' 99' ' ' GLN . 61.0 mtp180 -89.56 -23.9 21.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 122' ' ' SER . 19.6 mt -97.14 -50.84 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.219 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -105.67 -13.89 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.226 -174.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.662 HE22 ' C ' ' A' ' 96' ' ' ARG . 11.5 mp0 42.67 55.71 4.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.788 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 100' ' ' VAL . 14.6 p -160.72 123.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.391 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -170.43 128.89 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.485 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.0 153.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.62 129.12 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.626 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.669 HG12 ' H ' ' A' ' 105' ' ' ASP . 8.2 t -85.68 172.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.474 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.669 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.5 t0 -52.29 117.52 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.542 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.569 HG23 ' CG1' ' A' ' 140' ' ' VAL . 14.1 p -48.9 -15.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.8 tt0 -74.53 -37.7 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.441 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.49 56.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.49 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 54.28 66.7 1.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.711 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.5 m -90.93 124.28 35.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.261 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -109.87 136.35 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.407 . . . . 1.0 111.023 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.84 152.26 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.937 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 114' ' ' SER . 51.1 mt -152.78 160.04 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 1.0 110.989 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.543 ' N ' HG22 ' A' ' 113' ' ' ILE . 36.5 t -73.95 173.84 9.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.368 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -171.61 73.6 0.5 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.633 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.5 -1.35 11.21 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.829 2.352 . . . . 1.0 112.067 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.75 -31.56 71.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.486 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.9 t -107.87 145.88 33.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.51 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -70.22 141.39 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.52 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.44 34.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.6 mp -82.76 1.2 40.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 1.0 110.508 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.473 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 34.5 t -126.32 -99.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.4 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.583 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 58.78 179.64 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.543 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.24 130.19 42.89 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.612 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -74.34 134.38 18.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.791 2.327 . . . . 1.0 112.084 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.417 ' CG ' ' H ' ' A' ' 128' ' ' GLY . 5.7 tp 42.1 -126.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.534 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 127' ' ' LEU . . . 60.33 35.94 89.66 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -145.69 151.49 46.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 1.0 110.616 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' A' ' 132' ' ' GLN . 38.8 Cg_endo -67.42 169.04 16.41 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.978 2.452 . . . . 1.0 112.194 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.03 6.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.497 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 130' ' ' PRO . 33.3 mt-30 -139.27 141.33 37.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.531 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -116.18 126.27 27.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.6 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.94 140.9 18.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.901 2.401 . . . . 1.0 112.34 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 136' ' ' ASP . 3.7 m -116.99 129.25 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.381 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.8 OUTLIER -38.95 140.69 0.66 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.75 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.15 -41.73 16.48 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.96 2.44 . . . . 1.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.455 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -53.56 -32.05 49.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.595 -178.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.599 ' CD2' ' ND ' ' A' ' 301' ' ' CYC . 16.9 t-80 -86.97 -29.6 21.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.143 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.569 ' CG1' HG23 ' A' ' 106' ' ' VAL . 93.3 t -59.53 -48.82 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.233 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -64.81 -45.07 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -44.52 -40.57 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.303 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.79 -40.6 47.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.447 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -58.94 -44.6 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.509 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.6 t -61.99 -15.51 44.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.639 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.28 4.2 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.02 22.54 73.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.9 t -108.93 143.21 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 1.0 110.635 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.28 -33.19 5.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.19 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 p -148.09 120.22 8.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.089 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 p -130.47 142.95 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.976 0.417 . . . . 1.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.8 tt -108.08 134.27 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.067 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.463 HG21 HH12 ' A' ' 101' ' ' ARG . 7.0 t -110.65 129.18 66.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 1.0 110.99 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.13 115.33 17.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.005 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 153.2 41.45 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.974 2.449 . . . . 1.0 112.768 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.2 mt -119.07 110.6 17.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.112 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.629 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 17.9 ptm -137.0 159.63 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 1.0 110.72 -176.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.577 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 54.8 t60 -141.14 123.32 15.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.487 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.4 t60 76.43 -114.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.448 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -117.36 -5.76 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.465 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -105.48 158.41 16.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.566 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.405 HD21 HD21 ' A' ' 165' ' ' LEU . 25.3 tp -106.1 128.97 54.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.425 177.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -100.26 -45.53 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.631 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.93 -177.84 33.38 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 54' ' ' TYR . 30.6 mt -135.33 152.43 51.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 1.0 110.681 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.6 tp -119.04 151.38 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.228 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.2 p -160.44 138.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 1.0 111.075 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.94 141.11 48.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.168 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.482 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.1 m80 -112.23 129.09 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 1.0 111.043 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.509 ' CE1' HG23 ' A' ' 48' ' ' THR . 73.5 m80 -124.47 121.99 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.39 178.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.66 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.601 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -133.85 150.47 74.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -41.27 137.12 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.857 2.371 . . . . 1.0 112.142 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -153.78 75.91 6.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -55.63 152.35 34.58 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.844 2.362 . . . . 1.0 112.15 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -109.62 143.88 38.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.397 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.5 t -83.08 152.34 25.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -56.11 -34.98 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -78.13 -54.64 6.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.05 -35.24 78.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.384 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.3 tp -51.62 -50.94 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.297 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -66.52 -47.82 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.209 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 66.6 t -43.36 -45.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.048 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.15 -50.68 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.171 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -48.7 -35.69 14.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.903 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.7 -45.06 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.9 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 58.6 tp -50.7 -45.11 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.742 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.801 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -59.5 -38.71 81.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.741 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -68.37 -30.55 69.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.828 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.6 -49.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.028 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 157' ' ' MET . 20.4 p -53.89 -32.2 52.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.977 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.91 -35.22 71.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.176 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.15 85.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.229 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.7 -52.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.185 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.577 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.15 -47.52 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.183 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.63 -47.16 87.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.335 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -52.27 -41.86 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.433 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.4 mt -48.5 -37.24 17.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 32.8 t -51.79 -60.69 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 202' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.999 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.714 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 1.0 110.582 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.06 -32.29 33.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.564 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -73.4 -48.87 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.654 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 38' ' ' THR . 5.0 mm -56.22 -45.98 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.604 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.2 mt -56.34 -32.79 65.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.565 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.1 ttm180 -61.12 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.79 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.06 59.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.793 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 34' ' ' ILE . 77.6 p -69.17 -36.21 77.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.682 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.641 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -68.32 -26.75 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.714 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.3 -36.53 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.744 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 45' ' ' PHE . 9.3 tm-20 -75.54 -54.02 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.683 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 43' ' ' ARG . 28.4 m -53.49 -49.5 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.733 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.64 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.2 ttt-85 -49.75 -44.81 48.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.63 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.09 -40.3 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.613 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.525 ' CE1' ' OE2' ' A' ' 41' ' ' GLU . 10.1 m-85 -67.3 -36.7 82.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.549 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.23 -11.87 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.499 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.16 28.67 3.17 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 1.2 p -77.74 144.72 36.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 1.0 110.622 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -51.35 -42.25 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.741 HH12 ' HZ1' ' A' ' 52' ' ' LYS . 63.2 ttt-85 -143.54 131.67 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.84 -175.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 11.4 t -140.84 131.51 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.944 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.741 ' HZ1' HH12 ' A' ' 50' ' ' ARG . 14.8 pttm -136.53 150.84 48.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 1.0 111.233 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.571 HG22 ' CD1' ' A' ' 166' ' ' LEU . 48.4 t -98.88 138.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 1.0 109.89 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 165' ' ' LEU . 12.2 t80 -122.54 123.8 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.251 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -103.01 141.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 1.0 109.989 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -103.24 137.96 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.901 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 61' ' ' HIS . 42.1 m-20 -95.87 151.74 38.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.516 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.13 -20.34 18.71 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.836 2.357 . . . . 1.0 112.079 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -92.6 -1.95 56.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.575 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -14.99 58.86 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 57' ' ' ASP . 50.3 m80 -75.05 145.14 42.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 1.0 110.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.78 155.72 21.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 81' ' ' THR . 4.4 p -134.4 157.79 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 1.0 110.55 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.62 110.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.647 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.11 -2.43 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.406 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.79 127.15 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.531 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HG3' HH21 ' A' ' 50' ' ' ARG . 14.0 tm-20 -158.51 139.11 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.44 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.88 45.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.623 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -120.54 141.14 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.4 134.02 11.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.77 39.36 4.77 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 40.07 22.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 1.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' GLY . 75.9 ttt-85 -61.69 -46.3 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.98 148.26 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.25 157.49 59.25 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.755 2.303 . . . . 1.0 112.062 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -91.19 115.42 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -96.32 9.92 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.425 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.79 136.1 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.51 -8.94 75.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 mt -85.8 145.24 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 1.0 110.492 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 63' ' ' THR . 73.2 p -110.55 146.31 36.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.32 142.66 29.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.471 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.06 140.29 37.5 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.725 2.284 . . . . 1.0 112.163 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.78 80.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.742 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -49.16 -17.65 1.06 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -57.21 -7.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 1.0 110.486 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.42 ' H ' ' C ' ' A' ' 85' ' ' GLY . 16.0 pt -152.28 149.04 22.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.531 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.04 -94.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.874 2.383 . . . . 1.0 112.108 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -170.1 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.629 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -55.39 -43.12 74.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -42.57 65.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.812 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.98 -33.51 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.675 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -63.16 -34.52 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.74 -33.56 73.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.513 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.811 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 26.0 m-85 -70.6 -34.41 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.731 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.695 HH12 ' H ' ' A' ' 162' ' ' LEU . 21.6 mtp85 -86.68 -20.26 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 123' ' ' ALA . 96.2 mt -101.77 -49.83 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.175 -176.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.08 -16.55 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.231 -173.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.578 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 1.3 mp0 43.39 54.8 5.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.864 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.5 t -153.08 123.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.419 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 10.1 tpp180 -157.35 124.6 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 133' ' ' ARG . 47.1 t -147.09 146.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.61 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 103' ' ' ILE . 4.0 mp -112.4 126.78 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.614 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 105' ' ' ASP . 1.9 t -84.66 172.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.466 -177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.577 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.6 t0 -52.77 117.12 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.541 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 140' ' ' VAL . 20.0 t -49.67 -17.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.535 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.8 tp10 -73.23 -38.77 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.491 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.87 58.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.496 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.92 65.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.728 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 p -91.04 124.48 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.197 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -110.34 136.51 49.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 1.0 110.995 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.453 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -115.44 147.92 40.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.889 177.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.1 mt -148.67 156.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.918 0.389 . . . . 1.0 111.027 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.9 p -75.11 173.36 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.455 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -175.37 151.62 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.622 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.28 74.43 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.79 2.327 . . . . 1.0 112.062 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.57 138.29 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.0 t -95.94 -31.81 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.553 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -145.93 -165.13 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.11 4.64 44.46 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 122' ' ' SER . 3.3 tt -95.1 112.59 24.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 1.0 110.543 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.575 ' N ' HD23 ' A' ' 121' ' ' LEU . 5.4 m -177.84 92.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.526 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -66.56 -46.03 77.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -40.81 -47.22 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.507 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.1 t -137.09 93.08 13.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.594 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -93.25 146.6 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.767 2.312 . . . . 1.0 112.117 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 128' ' ' GLY . 3.5 tp -173.15 159.31 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.599 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.418 ' H ' ' HG ' ' A' ' 127' ' ' LEU . . . 93.93 37.23 5.52 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.44 101.29 50.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 1.0 110.61 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.87 152.09 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.88 2.387 . . . . 1.0 112.289 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 68.6 mt -56.29 -25.76 49.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.486 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 131.2 45.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.506 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' VAL . 19.7 mmm180 -115.44 135.96 22.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.77 141.43 17.14 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.918 2.412 . . . . 1.0 112.311 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.45 129.9 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.454 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.7 OUTLIER -41.76 151.11 0.33 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.762 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -46.32 -19.16 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.922 2.415 . . . . 1.0 111.764 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.405 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -58.24 -40.89 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.591 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.09 -23.33 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.175 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 106' ' ' VAL . 72.9 t -60.52 -57.99 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.172 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -66.26 -48.08 71.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.23 -42.75 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.307 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.99 -44.89 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.445 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -58.08 -45.84 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.569 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.0 m -63.43 -17.03 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.584 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 22.6 mmm -97.26 0.29 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.95 21.6 73.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.447 HG21 ' HD1' ' A' ' 169' ' ' HIS . 24.3 t -110.34 143.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 1.0 110.646 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -113.01 -43.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.232 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 p -136.65 120.95 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.4 p -128.97 140.31 51.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.992 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' A' ' 176' ' ' TYR . 5.0 tt -102.24 132.86 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.133 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.52 HG22 HG23 ' A' ' 167' ' ' VAL . 66.5 t -112.77 129.49 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 1.0 111.012 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.4 121.29 18.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.009 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.2 145.53 24.41 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.943 2.429 . . . . 1.0 112.723 -175.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.96 107.99 17.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.183 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 13.3 ptm -136.99 161.46 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 1.0 110.719 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 64.5 t60 -134.17 123.34 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.587 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 75.4 t60 64.25 -105.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.46 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -117.49 -5.34 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.405 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -102.81 151.33 22.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.613 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.695 ' H ' HH12 ' A' ' 96' ' ' ARG . 23.1 tp -104.72 126.96 52.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.505 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -99.95 -43.54 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.671 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.43 -177.21 31.31 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.193 -0.763 . . . . 1.0 111.193 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.31 133.89 33.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.688 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.571 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.3 tp -100.76 151.97 21.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.167 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.52 HG23 HG22 ' A' ' 153' ' ' VAL . 12.6 p -158.33 134.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 1.0 111.05 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -117.52 134.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.156 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.447 ' HD1' HG21 ' A' ' 148' ' ' VAL . 47.0 m-70 -109.73 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.004 -177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.439 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.8 t-80 -128.98 133.89 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.304 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -70.22 -23.54 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.58 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.92 151.91 55.56 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.585 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.92 -66.82 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.811 2.34 . . . . 1.0 112.217 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.34 74.42 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.78 162.16 7.14 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.816 2.344 . . . . 1.0 112.219 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.461 ' CE1' HD12 ' A' ' 152' ' ' LEU . 95.1 m-85 -112.12 141.87 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.4 p -84.99 152.9 23.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.654 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -55.08 -35.83 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.403 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 183' ' ' VAL . 85.1 tt0 -74.87 -48.85 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.403 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.43 -36.33 82.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.379 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 181' ' ' LEU . 2.5 tt -51.37 -57.67 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.271 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.85 -47.82 84.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.241 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 179' ' ' GLU . 54.9 t -45.25 -49.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.068 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.18 -52.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.153 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.69 -37.23 18.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.917 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.2 -43.58 61.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.414 HD21 HG12 ' A' ' 42' ' ' VAL . 59.9 tp -51.52 -45.31 62.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.83 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.94 97.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.762 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -59.67 -36.54 76.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.74 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.766 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.99 -49.39 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.117 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -33.3 54.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.991 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.4 mt -67.56 -32.92 59.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.136 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.36 84.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.221 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 6.9 mt -61.82 -34.17 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.227 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.583 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -74.29 -54.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.327 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.475 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.6 pt20 -62.91 -39.47 94.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.252 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.48 -33.79 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.312 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -53.0 -43.49 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.442 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.12 -27.85 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.415 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 94.9 p -54.62 -59.15 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.603 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.811 HBA2 ' CZ ' ' A' ' 95' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD22 HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.512 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.38 -31.22 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -76.74 -46.59 24.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 38' ' ' THR . 26.0 mm -56.39 -50.13 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.579 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' O ' ' OG1' ' A' ' 38' ' ' THR . 89.3 mt -56.19 -35.95 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.602 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.591 ' O ' HG12 ' A' ' 39' ' ' VAL . 55.6 ttp180 -61.62 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.816 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -27.21 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.763 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 34' ' ' ILE . 75.5 p -68.02 -37.52 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.642 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.686 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 2.3 p -71.44 -24.82 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.72 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' OE1' ' NH2' ' A' ' 43' ' ' ARG . 72.6 mm-40 -75.14 -45.91 37.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -71.03 -39.65 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 38' ' ' THR . 44.8 t -57.39 -54.62 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.747 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -48.6 -43.52 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.687 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.9 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.654 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.95 -43.15 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.542 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -94.1 -11.61 30.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.515 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.12 25.83 4.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 62.0 m -75.0 141.72 43.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 1.0 110.595 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.95 -42.11 59.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.533 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.571 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 42.1 ttt85 -144.87 131.44 19.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.872 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.3 p -144.2 131.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.968 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.597 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 13.3 pttm -137.17 153.05 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 1.0 111.228 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.552 HG22 ' CD1' ' A' ' 166' ' ' LEU . 48.0 t -100.66 139.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.926 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.458 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.7 t80 -126.75 127.83 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 1.0 111.25 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 41.0 ptt180 -106.95 147.67 29.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.981 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.19 142.11 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.016 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.3 m-20 -101.1 152.52 37.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.437 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -41.08 -45.85 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.806 2.337 . . . . 1.0 112.082 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.71 -12.69 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 107.59 -7.14 36.3 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.0 m80 -74.75 145.72 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 1.0 110.512 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -131.22 155.27 21.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 10.6 p -134.46 157.13 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -92.44 110.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.606 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 65' ' ' VAL . 46.0 t -106.84 -2.01 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.434 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.686 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.72 123.5 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.525 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -155.49 139.68 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.434 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB1' ' NH2' ' A' ' 43' ' ' ARG . . . -135.28 143.18 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.653 178.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -130.56 144.78 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.638 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.67 141.13 15.34 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 44.13 36.15 3.88 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 40.98 21.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.0 110.601 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.2 tpm_? -59.9 -41.99 92.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.578 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.34 120.42 41.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.541 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.1 Cg_exo -49.68 161.69 0.79 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.763 2.309 . . . . 1.0 111.978 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.447 ' HA ' HH22 ' A' ' 50' ' ' ARG . 29.5 t -88.36 119.63 28.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.709 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 23.6 mt -98.08 4.39 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.493 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.07 135.73 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 -8.89 78.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 80' ' ' LEU . 73.6 mt -85.41 144.6 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 1.0 110.52 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.9 t -112.54 148.95 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.5 m-85 -117.26 149.37 44.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.428 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -78.24 147.54 23.34 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.718 2.278 . . . . 1.0 112.062 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.75 72.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.02 -19.38 1.46 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -66.84 -27.97 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 1.0 110.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 mt -131.67 91.41 33.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.444 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 65.3 Cg_exo -34.63 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.914 2.409 . . . . 1.0 112.065 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.8 tt0 -172.17 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.535 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -52.78 -44.89 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.684 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.5 -37.54 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.842 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -63.41 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.69 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.457 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 91.3 mtt-85 -65.18 -38.08 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.568 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -36.63 71.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.588 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 80.8 m-85 -69.98 -33.42 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.751 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.645 ' C ' HE22 ' A' ' 99' ' ' GLN . 58.4 ttp180 -88.68 -24.48 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.868 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 93' ' ' ARG . 90.1 mt -97.07 -49.43 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 -176.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.16 -173.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.667 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 11.3 mp0 41.72 55.41 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.789 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 100' ' ' VAL . 10.7 p -162.25 124.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.437 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' A' ' 101' ' ' ARG . 0.0 OUTLIER -170.36 131.23 0.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.495 178.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.4 t -144.51 153.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.708 HD11 ' O2A' ' A' ' 301' ' ' CYC . 70.7 mt -110.6 128.97 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.618 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 105' ' ' ASP . 17.3 t -85.71 173.05 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.427 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.678 ' H ' HG12 ' A' ' 104' ' ' VAL . 35.5 m-20 -50.22 117.63 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.58 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 106' ' ' VAL . 26.7 t -50.58 -11.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.586 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 109' ' ' GLN . 48.5 tp10 -70.65 -38.57 73.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.41 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.37 0.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.497 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 13.6 pt20 37.44 71.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.762 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.6 p -92.59 123.63 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.235 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -112.52 139.84 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.977 0.417 . . . . 1.0 111.001 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.572 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.9 p -118.34 156.32 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.87 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 112' ' ' SER . 27.9 pt -154.79 160.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.008 0.432 . . . . 1.0 110.989 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.6 m -76.27 171.95 13.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.41 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.82 74.87 37.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -49.22 -23.83 7.32 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.843 2.362 . . . . 1.0 111.988 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 117' ' ' GLU . 3.2 tm-20 -99.95 74.44 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.5 p -153.95 161.53 41.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' GLY . 75.9 t-105 -136.62 122.69 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 119' ' ' TRP . . . 41.38 94.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 122' ' ' SER . 50.6 mt -58.76 -36.32 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 1.0 110.52 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 121' ' ' LEU . 10.8 p 43.6 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 97' ' ' LEU . . . -77.82 1.49 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -48.22 -19.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.2 p -87.63 130.21 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.611 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 128' ' ' GLY . 71.8 Cg_endo -75.41 139.58 23.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.773 2.315 . . . . 1.0 112.092 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 129' ' ' GLU . 38.5 mt 57.65 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 60.08 -0.53 0.82 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 133' ' ' ARG . 58.5 mm-40 -145.02 159.31 50.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 1.0 110.572 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.619 ' C ' ' H ' ' A' ' 132' ' ' GLN . 7.4 Cg_endo -47.04 168.98 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.939 2.426 . . . . 1.0 112.224 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.55 14.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.619 ' H ' ' C ' ' A' ' 130' ' ' PRO . 44.5 mm-40 -140.32 158.92 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -134.04 117.69 13.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.604 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.79 139.91 16.0 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.965 2.443 . . . . 1.0 112.257 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 135' ' ' VAL . 15.7 m -117.38 132.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.409 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.619 ' HB3' HMD2 ' A' ' 301' ' ' CYC . 5.7 t0 -41.87 144.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.441 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 8.4 Cg_endo -49.97 -11.88 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.943 2.429 . . . . 1.0 111.817 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.964 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.8 OUTLIER -70.45 -40.26 73.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -84.1 -30.92 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.195 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.47 -63.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.198 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -58.22 -41.34 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.385 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -48.63 -44.11 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.249 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 103' ' ' ILE . 11.4 mt -72.33 -47.08 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.539 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -55.98 -44.12 78.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.8 p -64.78 -17.68 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmm -95.77 -1.87 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.489 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.62 23.37 64.9 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.4 t -112.93 143.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 1.0 110.703 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.71 -45.49 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.194 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.2 p -131.67 118.25 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.054 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.5 t -129.47 141.13 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.9 0.381 . . . . 1.0 111.011 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -99.51 134.35 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.086 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.2 126.36 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 1.0 111.017 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.82 118.25 16.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.012 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.74 155.9 31.21 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.994 2.462 . . . . 1.0 112.767 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.9 mt -120.29 111.81 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.103 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.667 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 15.4 ptm -133.46 157.58 45.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 1.0 110.648 -175.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.62 ' NE2' ' CE1' ' A' ' 159' ' ' HIS . 57.8 t60 -135.43 123.82 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.558 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.62 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 27.7 m-70 70.67 -110.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.505 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -118.15 -4.76 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.458 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.427 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 12.6 pt-20 -106.61 161.7 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.662 -176.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.42 129.14 55.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.464 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.427 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 46.3 m95 -102.09 -44.09 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.659 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -157.72 -176.94 30.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.22 -0.752 . . . . 1.0 111.22 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 tt -142.05 140.25 32.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 1.0 110.678 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.0 tp -104.81 153.49 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.152 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.4 p -158.45 135.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 1.0 111.015 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 133.63 55.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.127 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.518 ' O ' ' CG2' ' A' ' 48' ' ' THR . 32.0 m-70 -108.56 129.08 55.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 1.0 111.077 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -124.45 126.78 46.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.374 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -84.26 32.7 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.613 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 25.1 mt-10 -160.7 142.93 9.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.53 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 174' ' ' ARG . 88.3 Cg_exo -41.57 -78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.778 2.319 . . . . 1.0 112.215 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 173' ' ' PRO . 0.0 OUTLIER 35.34 89.01 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.324 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.41 172.72 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 1.0 112.264 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -109.77 142.62 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.395 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 62.9 m -87.99 151.52 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.9 -25.91 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.444 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -82.0 -52.83 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.421 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 184' ' ' VAL . 95.8 mt-10 -65.89 -19.01 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.421 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 51.0 tp -74.78 -45.79 41.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.345 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.16 -56.48 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.173 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.5 p -46.66 -39.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.1 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 180' ' ' GLU . 73.7 t -73.18 -52.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.11 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -46.17 -31.2 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.958 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.2 tp -72.68 -43.76 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.94 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 61.6 tp -51.3 -45.66 62.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.866 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.77 92.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.818 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -58.06 -37.17 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.777 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 -30.27 67.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.856 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.5 t -75.57 -50.03 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.2 t -50.85 -27.21 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.952 178.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 46.6 mt -76.41 -32.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.115 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.08 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.233 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 196' ' ' ALA . 12.8 pt -63.8 -30.5 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.259 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -73.41 -49.62 26.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.289 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.11 -41.64 97.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.18 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.04 -33.03 74.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.327 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.32 -43.23 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.466 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 50.0 mt -48.31 -29.7 4.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 92.3 p -52.5 -59.07 4.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.61 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.964 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.885 0.374 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -54.57 -31.84 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.571 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -76.89 -49.47 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.684 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' THR . 96.5 mt -57.73 -52.02 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.559 ' O ' ' OG1' ' A' ' 38' ' ' THR . 64.6 mt -56.54 -31.88 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.587 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' HG12 ' A' ' 39' ' ' VAL . 24.2 ttm180 -64.03 -40.46 96.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.794 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.79 -27.18 57.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.559 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 57.2 p -65.66 -38.62 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.755 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.688 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -70.91 -25.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.74 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.09 -36.87 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.08 -40.4 31.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.683 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 38' ' ' THR . 53.6 t -55.38 -56.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.717 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -52.09 -44.03 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -57.9 -49.03 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -63.09 -42.85 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.525 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.02 -13.18 27.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.521 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.67 25.77 15.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.548 HG23 ' CD2' ' A' ' 170' ' ' HIS . 37.5 m -74.67 139.74 43.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 1.0 110.611 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' CG ' HH21 ' A' ' 73' ' ' ARG . 88.8 m-20 -51.41 -43.83 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.431 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 32.2 ttt180 -143.75 131.47 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.938 -176.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -149.78 134.33 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.965 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -138.77 156.81 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 1.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.02 139.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.814 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.1 t80 -119.62 120.5 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 1.0 111.169 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -100.82 141.58 33.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.986 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.41 128.9 46.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.99 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.3 m-20 -94.59 155.79 39.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -38.24 -53.2 1.73 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 1.0 112.139 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 56.9 tt0 -69.99 -12.7 61.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.593 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.21 -4.72 52.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 56.0 p-80 -81.96 101.53 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.527 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -88.05 168.0 36.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 p -139.58 161.95 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 1.0 110.601 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.446 HG12 HD12 ' A' ' 78' ' ' LEU . 4.0 t -90.1 108.28 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.27 -3.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.429 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.688 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.68 126.11 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.489 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.563 ' CD ' HH21 ' A' ' 50' ' ' ARG . 37.2 tt0 -157.88 140.28 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.1 137.82 44.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.693 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -124.1 143.34 50.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.64 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.88 141.86 15.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.12 34.92 0.64 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 41.96 19.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.609 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 25.1 ttp180 -55.94 -43.5 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.539 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 mt -108.45 126.79 28.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.62 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 78.3 Cg_exo -49.83 160.27 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 1.0 112.027 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -92.18 117.03 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.661 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 20.8 mt -99.68 9.96 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.471 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.446 HD12 HG12 ' A' ' 64' ' ' VAL . 6.5 tp -63.86 141.1 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.499 -177.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.07 -6.14 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.46 147.52 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 1.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 p -104.59 133.12 49.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.34 109.0 61.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.08 146.28 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.72 2.28 . . . . 1.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.15 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -19.17 1.85 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.36 -24.42 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 1.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 40.3 mt -119.88 94.99 49.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.521 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.7 Cg_exo -39.71 -111.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.937 2.425 . . . . 1.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 81.7 tt0 -158.89 -53.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.572 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -47.86 -44.71 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.624 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB1' ' O2A' ' A' ' 301' ' ' CYC . . . -69.32 -30.52 68.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.782 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.77 -32.75 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.6 mtp180 -63.38 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.8 -34.75 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.539 ' CD2' HD23 ' A' ' 165' ' ' LEU . 7.6 m-85 -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.706 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -95.08 -21.05 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 58.2 mt -92.34 -49.58 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.226 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.84 -13.79 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.177 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 44.71 58.05 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.813 -178.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 99' ' ' GLN . 4.4 m -155.52 120.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.347 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -163.41 129.29 3.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.479 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.43 ' H ' ' HB2' ' A' ' 133' ' ' ARG . 2.4 p -148.49 151.07 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.701 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.71 127.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 105' ' ' ASP . 5.9 t -84.91 172.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.444 -178.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.678 ' H ' HG12 ' A' ' 104' ' ' VAL . 44.7 m-20 -51.06 114.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.584 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 106' ' ' VAL . 37.3 t -48.53 -13.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' ASP . 45.0 tp10 -77.1 -36.33 55.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.488 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.8 61.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.535 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 55.49 65.86 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 m -94.96 124.44 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.199 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -111.64 140.21 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.427 . . . . 1.0 110.973 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -124.03 156.88 35.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.916 177.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.625 HG22 ' N ' ' A' ' 114' ' ' SER . 27.0 mt -156.98 164.13 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.002 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.625 ' N ' HG22 ' A' ' 113' ' ' ILE . 59.6 p -75.8 174.21 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.374 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -165.4 68.41 1.24 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.615 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.49 -31.26 38.51 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.848 2.365 . . . . 1.0 112.08 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.01 -35.2 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.8 t -113.66 132.28 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -162.48 140.51 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.498 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.81 48.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 37.8 mt -86.91 139.26 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.807 0.336 . . . . 1.0 110.585 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.2 t -137.99 137.51 37.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.89 -24.53 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.537 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -58.64 -24.91 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.611 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -97.18 109.42 49.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.57 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -48.8 158.83 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.735 2.29 . . . . 1.0 112.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.422 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 67.9 mt 48.16 -103.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.45 -21.63 41.73 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -133.16 159.56 72.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 1.0 110.604 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.557 ' C ' ' H ' ' A' ' 132' ' ' GLN . 15.7 Cg_endo -55.58 162.34 6.52 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.982 2.455 . . . . 1.0 112.236 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 -3.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.557 ' H ' ' C ' ' A' ' 130' ' ' PRO . 32.2 mm-40 -134.67 166.01 23.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.454 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.602 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.99 84.72 30.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.585 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.46 141.87 13.88 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.909 2.406 . . . . 1.0 112.265 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 135' ' ' VAL . 22.2 m -121.9 130.28 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.368 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.485 ' CG ' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -40.92 157.86 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.707 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.408 ' CD ' ' OD1' ' A' ' 136' ' ' ASP . 31.4 Cg_exo -56.09 -30.08 77.35 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.949 2.432 . . . . 1.0 111.778 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.755 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -62.03 -29.7 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.659 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.914 ' ND1' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -86.96 -28.85 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.128 176.388 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.444 ' CG1' HG13 ' A' ' 106' ' ' VAL . 97.9 t -59.43 -50.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.181 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.22 -46.19 84.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.408 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.58 -43.5 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.335 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.31 -44.69 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.485 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -56.86 -45.54 82.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.641 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.7 p -62.8 -15.65 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.542 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.4 mmm -97.75 0.97 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.505 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.74 71.01 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.61 140.9 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 1.0 110.615 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.98 -32.47 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.196 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.1 t -152.98 118.53 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.014 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -127.09 141.22 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.948 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.5 tp -104.09 131.96 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.115 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.87 127.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.962 0.411 . . . . 1.0 111.038 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.05 96.61 36.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.108 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.446 ' HG3' ' CD2' ' A' ' 95' ' ' PHE . 51.7 Cg_exo -50.64 148.32 15.93 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.882 2.388 . . . . 1.0 112.798 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.21 111.77 20.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.13 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.438 ' O ' ' OG ' ' A' ' 192' ' ' SER . 9.6 ptm -138.39 162.87 33.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 1.0 110.681 -175.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.57 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 64.4 t60 -143.6 122.2 12.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 51.5 t-80 76.18 -113.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -177.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.43 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 5.4 pp0? -118.4 -6.82 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.5 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -104.44 158.99 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.697 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -106.64 129.49 54.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.451 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.3 -44.74 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.588 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.698 ' C ' HD12 ' A' ' 165' ' ' LEU . . . -158.05 -177.48 31.2 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.247 -0.741 . . . . 1.0 111.247 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 165' ' ' LEU . 3.5 mp -137.08 136.67 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 1.0 110.681 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.32 149.52 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.148 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.3 p -158.76 135.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 1.0 111.033 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.412 ' HG ' ' CB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -118.28 138.16 52.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.16 178.079 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 48' ' ' THR . 12.7 m80 -109.46 127.87 54.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.062 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.548 ' CD2' HG23 ' A' ' 48' ' ' THR . 76.8 m-70 -123.96 124.88 43.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.334 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.63 64.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 0.1 OUTLIER -127.43 158.0 71.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.76 140.82 96.67 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.875 2.383 . . . . 1.0 112.183 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -160.07 84.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.319 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.52 157.13 12.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.803 2.335 . . . . 1.0 112.263 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -109.64 145.13 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.452 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -103.87 156.85 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.657 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.58 -44.99 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.384 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -43.92 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 184' ' ' VAL . 79.8 mm-40 -74.23 -8.07 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 185' ' ' GLN . 32.7 tp -83.03 -42.83 17.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.267 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 186' ' ' LEU . 92.9 mm-40 -65.09 -50.65 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.206 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.706 HG23 ' N ' ' A' ' 184' ' ' VAL . 21.5 m -47.15 -53.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.146 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.706 ' N ' HG23 ' A' ' 183' ' ' VAL . 7.6 p -76.37 -53.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.126 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.681 ' N ' HG13 ' A' ' 184' ' ' VAL . 63.4 tt0 -50.06 -38.89 40.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.92 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 182' ' ' GLN . 46.6 tp -74.81 -44.49 49.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.011 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 191' ' ' VAL . 59.1 tp -52.45 -46.95 66.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.97 88.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.752 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.721 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.72 -30.73 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 187' ' ' LEU . 38.2 t -75.14 -51.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.029 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 157' ' ' MET . 42.6 p -53.63 -31.38 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.022 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -69.69 -34.19 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.076 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.14 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.275 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.5 mt -55.41 -53.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.269 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.57 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -61.97 -46.84 87.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.283 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -60.86 -47.01 88.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.338 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -52.78 -41.51 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.452 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.56 -35.82 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.0 m -50.91 -59.66 3.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.882 -1.056 . . . . 1.0 110.507 179.572 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.801 HMD2 ' CE1' ' A' ' 139' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -53.53 -32.3 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.698 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -76.56 -48.64 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 38' ' ' THR . 4.8 mm -57.12 -52.27 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.597 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' A' ' 38' ' ' THR . 59.2 mt -56.56 -32.89 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.624 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' VAL . 75.5 ttt180 -62.83 -42.91 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.84 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.796 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.7 p -68.77 -37.17 79.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.689 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.667 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -69.1 -26.89 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.699 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.25 -33.66 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.772 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.89 -53.68 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.687 HG23 ' N ' ' A' ' 43' ' ' ARG . 34.4 m -52.81 -53.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.721 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.687 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -49.47 -42.72 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.687 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -52.92 -41.96 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.41 -35.14 78.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.558 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.92 -11.99 25.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.6 28.67 10.84 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.433 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.3 142.32 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 1.0 110.618 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.7 p30 -54.05 -39.05 65.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.502 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.582 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 15.7 ttt85 -144.12 132.44 21.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.904 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 6.5 t -141.61 131.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.873 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.542 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 32.1 pttt -136.85 151.29 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.025 0.441 . . . . 1.0 111.213 -177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 66' ' ' ALA . 60.0 t -96.77 137.73 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.826 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 52.8 t80 -117.27 113.92 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 1.0 111.144 -177.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -92.86 131.68 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.939 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 75.1 t80 -98.44 127.69 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.961 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -94.8 160.84 30.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.484 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.74 -22.35 57.26 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.868 2.379 . . . . 1.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -90.04 -6.84 55.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.578 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.91 -15.42 51.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 71.6 m80 -74.48 141.73 44.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 1.0 110.589 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -126.97 148.08 17.17 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 p -129.32 152.01 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 1.0 110.515 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.45 109.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -103.85 -3.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.391 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.667 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.83 126.41 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.561 ' CD ' HH21 ' A' ' 50' ' ' ARG . 49.0 tt0 -158.51 139.33 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.433 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.89 138.57 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.689 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HB3' HH12 ' A' ' 50' ' ' ARG . 35.0 ptt180 -117.81 140.83 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.589 -177.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.2 136.16 12.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.96 36.74 1.95 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 42.13 19.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 1.0 110.61 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.8 tpt180 -55.66 -45.15 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -108.08 146.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.607 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.571 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 40.2 Cg_endo -67.74 158.86 55.31 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.763 2.308 . . . . 1.0 112.053 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.463 ' HA ' HH22 ' A' ' 50' ' ' ARG . 69.5 m -85.05 118.71 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.735 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.36 3.15 45.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 18.4 tp -56.42 137.16 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.508 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -8.7 76.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -84.72 145.74 27.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.34 . . . . 1.0 110.549 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -107.56 138.49 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -105.58 141.65 23.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 1.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -73.74 142.11 31.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.698 2.265 . . . . 1.0 112.179 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -69.72 -35.43 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.16 -17.41 0.34 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ALA . 94.4 m-20 -64.38 -21.36 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 1.0 110.429 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 87' ' ' ILE . 5.0 mt -145.47 99.48 4.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.548 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.43 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.9 Cg_exo -37.88 -82.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.846 2.364 . . . . 1.0 112.131 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.4 tt0 -174.9 -33.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.57 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -56.33 -44.98 80.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.48 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.83 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -70.38 -31.55 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.696 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.54 -42.6 91.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.601 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.619 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 10.3 mt -58.67 -34.31 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.584 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.662 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 6.6 m-85 -72.59 -24.74 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.692 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.624 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 55.7 ttp180 -86.61 -27.66 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.762 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.32 -40.17 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.208 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 94' ' ' LEU . . . -95.62 -26.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.199 -175.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 100' ' ' VAL . 8.1 mp0 39.3 51.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.809 -179.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 99' ' ' GLN . 35.8 t -162.12 127.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.651 ' O ' HG22 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -173.44 130.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.493 177.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.529 ' N ' HH11 ' A' ' 101' ' ' ARG . 4.5 m -144.7 154.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.612 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.9 129.89 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.56 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 105' ' ' ASP . 11.9 t -85.12 173.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.419 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.697 ' H ' HG12 ' A' ' 104' ' ' VAL . 25.9 m-20 -49.21 117.72 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.517 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -50.68 -16.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.556 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 105' ' ' ASP . 85.4 tt0 -74.08 -37.19 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.432 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.7 -15.54 30.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.503 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 53.4 69.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.701 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -92.14 122.22 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.185 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -110.53 138.87 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 1.0 111.029 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.42 ' C ' HG23 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -121.32 154.04 36.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.906 177.75 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.42 HG23 ' C ' ' A' ' 112' ' ' SER . 27.5 pt -154.89 161.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 1.0 111.063 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 p -76.9 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.4 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -164.41 153.14 11.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.691 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.3 -44.23 5.09 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.826 2.35 . . . . 1.0 112.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -103.54 128.94 50.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.5 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.4 m -151.96 160.75 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -99.35 163.31 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.531 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.95 12.19 40.8 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.62 -33.48 66.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 1.0 110.531 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.6 m -97.38 150.96 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 124' ' ' ARG . . . -58.83 -52.45 65.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.601 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' ALA . 53.7 mtm-85 39.12 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.483 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.3 153.52 68.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.62 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.23 125.5 8.84 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.783 2.322 . . . . 1.0 112.137 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 174.54 129.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.532 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.45 38.29 11.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -106.79 110.51 63.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 1.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.46 152.13 1.58 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.869 2.379 . . . . 1.0 112.229 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.56 -28.94 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.48 130.7 44.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.559 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -123.73 107.75 31.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.621 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.89 144.89 7.6 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.929 2.419 . . . . 1.0 112.327 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.45 135.18 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.465 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.483 ' HB2' HMD2 ' A' ' 301' ' ' CYC . 1.4 m-20 -40.49 141.52 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.69 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -44.71 -29.4 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.949 2.433 . . . . 1.0 111.764 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.925 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.6 OUTLIER -57.77 -40.32 79.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 -179.552 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -82.81 -31.65 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.192 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.08 -60.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.176 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.79 -43.1 98.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.32 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -46.24 -40.87 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.308 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 30.2 mt -74.97 -42.34 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.444 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -57.31 -45.07 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.504 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.3 p -63.73 -16.13 60.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 25.4 mmm -96.93 -1.43 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.58 21.74 71.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.94 141.77 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 1.0 110.691 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.71 -46.3 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.224 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 42.0 t -133.57 120.9 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.094 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.1 p -129.07 138.62 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 1.0 110.954 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.83 130.48 56.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.052 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 101' ' ' ARG . 0.8 OUTLIER -118.08 141.57 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 1.0 111.039 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.55 98.27 23.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.024 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -49.69 151.69 7.5 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.933 2.422 . . . . 1.0 112.816 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -115.8 110.38 18.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.169 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.638 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 9.5 ptm -137.89 155.32 49.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 1.0 110.717 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.641 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 2.4 t-80 -137.25 124.61 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.526 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.641 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 45.7 m-70 77.14 -118.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -115.76 -0.08 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.475 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.44 161.68 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.628 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.5 tp -107.84 128.88 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.457 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -99.81 -43.27 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.736 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -158.11 -176.24 29.94 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 166' ' ' LEU . 1.9 tt -139.63 130.23 25.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.871 0.367 . . . . 1.0 110.709 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.754 ' N ' HD23 ' A' ' 165' ' ' LEU . 5.0 tp -95.19 144.48 25.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.164 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 153' ' ' VAL . 8.6 p -147.74 130.06 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 1.0 111.016 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.25 130.94 56.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.207 177.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -111.67 134.22 53.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.12 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.46 130.21 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.37 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.69 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.684 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 9.9 mp0 -92.49 151.53 41.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.468 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.25 13.59 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.746 2.297 . . . . 1.0 112.216 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -48.87 126.56 13.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.353 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.26 170.9 16.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.843 2.362 . . . . 1.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -96.8 137.44 35.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.443 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 35.8 t -87.61 153.12 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.683 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.32 -31.44 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 183' ' ' VAL . 96.5 mt-10 -70.7 -49.31 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.422 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 184' ' ' VAL . 96.7 mt-10 -72.17 -12.97 61.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.404 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 181' ' ' LEU . 3.4 tt -66.38 -66.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.286 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 11.7 pt20 -71.05 -50.46 33.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.203 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.493 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 60.9 t -42.42 -46.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.064 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 180' ' ' GLU . 92.7 t -74.24 -46.15 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.183 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -45.79 -31.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.979 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.77 -43.95 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.913 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 191' ' ' VAL . 80.3 mt -56.09 -48.92 75.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.831 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.786 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.39 -34.84 72.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 1.0 109.726 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -71.79 -30.03 65.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.855 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 187' ' ' LEU . 31.3 t -75.58 -50.2 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.011 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 157' ' ' MET . 6.3 t -53.96 -33.26 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.033 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 33.3 mt -68.06 -31.41 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.112 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.94 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.216 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.1 mt -55.32 -53.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.245 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.604 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -64.79 -48.06 75.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.215 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -60.83 -46.6 89.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.308 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.28 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -52.36 -41.73 63.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.458 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 tp -47.9 -34.33 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.419 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 94.6 p -50.0 -59.79 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.463 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.581 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.925 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 1.0 110.53 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -49.34 -35.2 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -75.25 -51.33 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.697 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 38' ' ' THR . 96.4 mt -57.34 -46.45 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.612 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' O ' ' OG1' ' A' ' 38' ' ' THR . 30.1 mt -56.91 -31.41 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.618 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.6 ttp180 -63.83 -41.21 97.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.773 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' O ' ' OE1' ' A' ' 41' ' ' GLU . . . -74.58 -27.07 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.2 p -66.69 -36.48 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.12 -24.45 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.736 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.57 -46.38 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.773 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 7.8 mp0 -70.54 -38.27 74.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 38' ' ' THR . 56.0 t -55.71 -54.26 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.768 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ttm180 -50.19 -44.47 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.717 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.61 78.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.615 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -62.78 -42.2 99.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.482 ' HB3' HG23 ' A' ' 48' ' ' THR . 6.2 mt -94.47 -13.04 26.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.522 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.768 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.84 26.3 5.59 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.482 HG23 ' HB3' ' A' ' 46' ' ' LEU . 4.6 p -75.98 142.73 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -49.07 -43.72 41.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.502 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.742 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 69.4 ttt180 -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.929 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -148.6 133.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.91 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.77 ' NZ ' HBB2 ' A' ' 301' ' ' CYC . 20.8 pttt -138.06 154.44 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.074 0.464 . . . . 1.0 111.178 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.578 HG22 ' CD1' ' A' ' 166' ' ' LEU . 53.3 t -99.99 139.56 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.656 . . . . 1.0 109.841 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 6.6 t80 -125.43 125.65 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 1.0 111.211 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -99.72 137.69 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.907 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -99.77 131.67 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 1.0 110.932 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.561 ' CG ' ' NE2' ' A' ' 61' ' ' HIS . 1.3 m-20 -98.04 152.08 37.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.47 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.84 -21.76 42.08 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.844 2.363 . . . . 1.0 112.065 -176.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 57.5 tt0 -86.28 -8.36 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.596 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 -16.48 45.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.561 ' NE2' ' CG ' ' A' ' 57' ' ' ASP . 28.3 p-80 -82.18 152.73 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 1.0 110.56 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -137.16 160.86 25.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 81' ' ' THR . 5.6 p -134.94 157.95 45.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 1.0 110.586 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.67 110.68 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.645 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.51 -2.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.422 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.61 126.33 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.605 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HG3' HH21 ' A' ' 50' ' ' ARG . 13.5 tm-20 -158.37 140.39 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.433 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HB1' HH21 ' A' ' 43' ' ' ARG . . . -134.05 136.95 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.65 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -116.67 140.65 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.632 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.68 119.33 6.47 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 54.57 40.08 68.75 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 40.97 22.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 71' ' ' GLY . 24.1 ttm180 -60.88 -49.46 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.536 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.79 150.91 37.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.554 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 55.8 Cg_endo -71.41 147.49 52.63 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.77 2.314 . . . . 1.0 111.991 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.4 m -83.58 111.1 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.704 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.742 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 17.6 mt -96.12 8.08 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.532 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.9 tp -56.43 135.53 54.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.495 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -6.17 83.88 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.5 mt -88.21 144.24 26.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 1.0 110.545 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 63' ' ' THR . 72.5 p -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.455 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 26.4 m-85 -115.63 146.4 36.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.484 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -71.03 147.52 54.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.69 2.26 . . . . 1.0 112.119 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.91 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.72 -16.56 1.72 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 62.5 t0 -73.2 -21.62 60.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 2.0 mt -118.23 101.31 51.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.58 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.3 Cg_exo -45.74 -117.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.881 2.387 . . . . 1.0 112.138 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.9 tt0 -160.62 -54.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.679 ' CD ' ' H ' ' A' ' 90' ' ' GLU . 1.6 pm0 -45.8 -42.93 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.682 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.77 -44.0 64.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.784 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.11 -33.45 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.762 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 95.6 mtt-85 -62.02 -33.05 73.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.62 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 98' ' ' ALA . 27.4 mt -64.78 -31.86 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.603 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.576 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 10.5 m-85 -71.81 -35.03 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.429 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 45.6 ttp180 -86.21 -20.59 28.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.785 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 97.1 mt -103.27 -46.96 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.182 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -104.56 -20.84 13.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.197 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 1.4 mp0 45.48 55.97 6.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.8 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.5 t -153.35 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.444 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' A' ' 101' ' ' ARG . 12.2 tpt85 -159.76 125.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.518 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.58 149.13 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.577 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.79 129.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.594 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.22 176.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.445 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.413 ' OD1' ' OG ' ' A' ' 150' ' ' SER . 15.4 m-20 -52.19 117.56 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.408 HG13 ' CG1' ' A' ' 140' ' ' VAL . 25.3 t -52.17 -15.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.602 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -75.87 -35.83 59.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.413 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.68 -14.41 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.523 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.46 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 6.9 tt0 53.93 67.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.689 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -88.68 123.23 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.206 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.46 ' NH2' ' OE1' ' A' ' 109' ' ' GLN . 98.9 mtt180 -109.78 133.35 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.974 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -114.53 145.74 41.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.842 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -147.53 154.78 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 1.0 110.99 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -76.76 167.58 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.409 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -155.88 148.12 17.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.62 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 118' ' ' SER . 87.1 Cg_exo -41.47 132.49 3.58 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.812 2.341 . . . . 1.0 112.045 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 118' ' ' SER . 96.2 mt-10 42.58 -87.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.55 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 116' ' ' PRO . 0.7 OUTLIER 82.18 172.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.58 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -58.24 138.68 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.502 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -93.86 -74.08 1.24 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.21 130.85 36.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 1.0 110.522 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.8 p -94.6 -1.89 52.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.55 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.576 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.03 -34.45 76.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.1 p -124.72 93.33 46.33 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 128' ' ' GLY . 21.6 Cg_exo -67.39 158.53 56.59 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 1.0 112.128 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 127' ' ' LEU . 9.7 mp 40.95 -96.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 80.19 19.51 69.34 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.874 -0.891 . . . . 1.0 110.874 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -144.81 161.85 41.21 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 1.0 110.592 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.638 ' C ' ' H ' ' A' ' 132' ' ' GLN . 83.0 Cg_exo -43.85 168.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.931 2.421 . . . . 1.0 112.204 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.74 14.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.638 ' H ' ' C ' ' A' ' 130' ' ' PRO . 58.1 mm-40 -138.58 155.23 48.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.453 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -126.47 114.2 23.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.41 141.79 14.4 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.938 2.426 . . . . 1.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.04 135.39 62.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.375 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.524 ' CG ' HMD2 ' A' ' 301' ' ' CYC . 1.4 m-20 -40.01 138.38 1.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.757 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.53 -18.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.015 2.477 . . . . 1.0 111.762 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.889 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -63.1 -51.11 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -71.04 -30.75 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.131 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.408 ' CG1' HG13 ' A' ' 106' ' ' VAL . 41.4 t -58.69 -58.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.25 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -66.09 -46.15 78.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.341 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -44.89 -41.41 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.333 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.78 -41.31 60.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.467 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -58.52 -44.27 89.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.491 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.5 m -63.73 -18.33 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 13.9 mmm -94.4 0.1 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.23 72.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.1 t -110.17 143.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 1.0 110.696 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.06 -45.61 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.187 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.413 ' OG ' ' OD1' ' A' ' 105' ' ' ASP . 68.2 m -133.6 121.62 22.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.031 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 30.0 t -129.8 139.98 51.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 1.0 110.939 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.18 134.41 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.081 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 167' ' ' VAL . 45.3 t -113.81 128.96 70.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 1.0 110.992 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.1 117.44 15.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.009 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 150.45 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.976 2.451 . . . . 1.0 112.794 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.43 110.31 19.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.098 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.3 ptm -136.56 159.11 42.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 1.0 110.694 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.645 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 82.6 t60 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.569 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 19.9 t60 64.89 -105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.507 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.25 -6.18 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.481 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -102.97 152.37 21.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.582 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 23.8 tp -104.84 125.73 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -99.63 -41.95 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.692 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.75 -176.11 35.34 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.6 141.03 37.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 1.0 110.698 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.1 tp -103.91 150.84 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.164 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 153' ' ' VAL . 11.0 p -155.51 132.82 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 1.0 111.066 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.5 m -117.24 136.99 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.169 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -108.4 130.38 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 1.0 111.088 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.673 ' CD2' HH12 ' A' ' 174' ' ' ARG . 4.9 t60 -128.42 128.08 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.335 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -71.75 -26.4 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.584 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.2 153.59 37.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.548 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.47 ' O ' ' O ' ' A' ' 174' ' ' ARG . 48.2 Cg_endo -69.81 -92.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.842 2.361 . . . . 1.0 112.225 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.673 HH12 ' CD2' ' A' ' 170' ' ' HIS . 20.8 ttp-105 58.68 127.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.55 164.95 27.84 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.83 2.354 . . . . 1.0 112.14 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -106.36 148.32 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.6 t -91.0 151.87 20.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLN . . . . . 0.508 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 4.0 mp0 -61.73 -30.54 70.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -81.09 -56.11 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.07 -36.29 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.354 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -69.67 -50.46 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.246 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 58.1 t -43.63 -41.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.128 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 93.2 t -74.71 -50.02 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -49.0 -34.91 14.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.877 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.19 -44.49 62.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 1.0 109.993 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 191' ' ' VAL . 56.3 tp -51.93 -45.07 64.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.836 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.31 87.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.769 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -59.28 -37.72 78.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.701 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.66 -30.74 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.867 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 187' ' ' LEU . 41.6 t -76.2 -49.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.054 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 12.2 p -54.23 -32.71 56.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.013 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -67.89 -34.75 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.113 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.06 86.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.252 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.78 -47.78 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.201 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.645 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -67.51 -50.05 60.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.273 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -60.72 -47.19 87.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.265 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.64 -33.61 76.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.319 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.99 -41.65 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.418 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.5 mp -48.9 -35.04 13.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.468 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.1 m -53.17 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.513 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.889 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 31' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -50.32 -34.61 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.667 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -75.26 -50.65 15.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 38' ' ' THR . 95.9 mt -58.58 -45.71 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.705 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.55 ' O ' ' OG1' ' A' ' 38' ' ' THR . 32.6 mt -57.54 -31.16 65.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.599 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' O ' HG12 ' A' ' 39' ' ' VAL . 57.3 ttm-85 -64.17 -41.06 97.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.759 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.713 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 61.7 p -66.9 -37.17 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.741 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.631 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -72.04 -25.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.719 -178.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.38 -44.85 61.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.707 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.24 -36.0 71.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' THR . 45.4 t -59.65 -53.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.744 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.8 ttp85 -51.16 -44.96 61.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.7 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.63 80.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.646 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.76 -41.6 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.55 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.37 -13.31 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.744 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.04 26.52 6.09 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 p -75.98 142.42 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 1.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -47.74 -45.16 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.798 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 44.2 ttt85 -145.86 137.32 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.883 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.66 132.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 175.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.636 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 10.6 pttm -137.67 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 1.0 111.142 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG22 ' CD1' ' A' ' 166' ' ' LEU . 62.2 t -101.08 140.01 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.861 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 165' ' ' LEU . 22.4 t80 -123.85 123.34 40.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.98 0.419 . . . . 1.0 111.188 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' CA ' ' A' ' 62' ' ' GLY . 16.5 ptm180 -103.96 144.91 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.971 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 132.74 47.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 1.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' GLY . 6.4 m-20 -96.78 155.52 37.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.475 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -38.66 -51.86 2.18 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.784 2.322 . . . . 1.0 112.113 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 97.3 mt-10 -70.18 -12.18 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 -178.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.598 ' C ' ' HB2' ' A' ' 84' ' ' ALA . . . 102.3 -6.24 53.09 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 50.2 p-80 -82.75 101.09 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 1.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -85.63 167.42 40.65 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.2 p -137.7 161.04 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 1.0 110.595 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 80' ' ' LEU . 14.9 p -95.09 110.35 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.585 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.3 t -109.88 -0.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.397 -177.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.631 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.6 126.94 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.522 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -161.81 141.12 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.517 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.7 144.12 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.632 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.39 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.83 139.35 14.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.43 44.59 3.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' GLY . 17.5 pt-20 33.18 31.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 1.0 110.59 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.0 ttm180 -69.24 -45.92 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.531 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.78 127.03 29.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.489 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.2 Cg_exo -49.49 156.75 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.816 2.344 . . . . 1.0 112.023 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' HH22 ' A' ' 50' ' ' ARG . 35.2 t -85.49 118.77 25.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.672 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.798 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 41.8 mt -100.83 7.29 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.463 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD21 HH12 ' A' ' 36' ' ' ARG . 21.5 tp -60.3 137.06 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.485 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.564 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -6.55 83.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 176.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.752 ' O ' HG12 ' A' ' 64' ' ' VAL . 81.6 mt -86.86 141.63 28.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 1.0 110.505 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 t -102.34 134.52 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -104.9 108.29 60.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.492 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 53.1 Cg_exo -47.21 145.05 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.771 2.314 . . . . 1.0 112.174 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.598 ' HB2' ' C ' ' A' ' 60' ' ' GLY . . . -64.95 -34.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.801 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.39 -19.15 0.67 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 35.0 p-10 -65.8 -31.01 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 1.0 110.475 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mm -113.14 132.57 22.34 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.56 -105.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -160.67 -49.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -53.32 -43.97 68.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.683 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.09 -37.87 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.825 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -63.37 -32.12 73.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 97' ' ' LEU . 95.1 mtt180 -64.84 -37.76 88.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.07 -37.19 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.6 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 76.0 m-85 -67.89 -34.91 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.676 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.669 ' C ' HE22 ' A' ' 99' ' ' GLN . 27.7 ttm105 -88.34 -22.88 23.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.813 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 97' ' ' LEU . 67.9 mt -95.37 -50.67 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.156 -175.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -107.55 -14.65 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.238 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.684 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 12.7 mp0 44.05 55.17 5.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.838 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 99' ' ' GLN . 11.0 m -159.4 124.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.354 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -171.07 128.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.3 p -144.96 154.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.6 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 4.5 mt -106.75 127.03 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.626 HG12 ' N ' ' A' ' 105' ' ' ASP . 16.7 t -83.54 170.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 -177.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.626 ' N ' HG12 ' A' ' 104' ' ' VAL . 62.6 t0 -51.77 116.52 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG23 HG13 ' A' ' 140' ' ' VAL . 8.9 p -50.08 -17.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.62 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -74.43 -38.03 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.465 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -17.16 40.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.555 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 55.28 65.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.715 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 m -89.82 124.74 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.208 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 -111.36 131.66 55.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 1.0 110.934 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.799 ' C ' HD12 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -117.18 150.81 38.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.94 177.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 112' ' ' SER . 5.2 mp -149.9 158.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.747 -0.381 . . . . 1.0 111.021 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.528 ' N ' HG22 ' A' ' 113' ' ' ILE . 66.6 m -73.73 174.14 8.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.359 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -143.94 152.75 56.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.606 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.36 -4.56 12.06 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.883 2.388 . . . . 1.0 112.059 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 119' ' ' TRP . 78.0 mm-40 -57.15 -38.11 73.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.56 ' OG ' ' N ' ' A' ' 119' ' ' TRP . 6.2 p 65.9 -63.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.559 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.56 ' N ' ' OG ' ' A' ' 118' ' ' SER . 99.2 m95 -65.74 137.21 57.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -104.6 -75.76 1.05 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.0 mt 43.75 72.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.318 . . . . 1.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.9 m -85.93 0.74 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.489 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.471 ' CB ' HH11 ' A' ' 124' ' ' ARG . . . -65.72 -54.8 22.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.628 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 9.3 mpt_? -70.99 -29.37 65.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.559 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.5 p -125.26 101.11 31.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.547 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.08 145.43 11.07 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.802 2.334 . . . . 1.0 112.121 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.556 HD21 HG21 ' A' ' 100' ' ' VAL . 62.6 mt 40.04 -111.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.579 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.82 10.0 60.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -119.63 171.8 5.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 1.0 110.605 179.417 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' A' ' 132' ' ' GLN . 75.8 Cg_exo -49.55 168.29 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.002 2.468 . . . . 1.0 112.194 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' A' ' 132' ' ' GLN . 50.4 mt -65.33 16.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.504 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' A' ' 130' ' ' PRO . 12.8 mm100 -139.07 150.32 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.54 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.67 112.78 40.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 1.0 110.614 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.26 139.36 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.981 2.454 . . . . 1.0 112.288 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.68 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.399 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.2 m-20 -42.02 143.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.743 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.16 -11.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.985 2.457 . . . . 1.0 111.803 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -59.94 -40.04 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.606 179.17 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.62 ' HD1' ' HG ' ' A' ' 143' ' ' LEU . 0.3 OUTLIER -86.03 -21.96 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.145 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.439 HG13 HG23 ' A' ' 106' ' ' VAL . 33.7 t -58.03 -63.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.256 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -66.16 -49.91 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -45.84 -43.41 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.62 ' HG ' ' HD1' ' A' ' 139' ' ' HIS . 56.5 mt -74.74 -45.69 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.537 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -56.51 -45.81 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.5 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -64.33 -16.8 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.563 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.5 mmm -97.3 -1.59 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.05 72.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.56 142.25 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 1.0 110.72 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.27 -47.79 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.171 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.2 t -134.31 120.16 19.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.041 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.3 p -131.72 143.72 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.989 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 tp -101.76 134.73 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.118 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -113.82 127.3 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 1.0 110.937 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 166' ' ' LEU . 3.8 t -132.83 118.34 15.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.007 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 165' ' ' LEU . 73.8 Cg_endo -75.98 153.82 37.51 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.935 2.423 . . . . 1.0 112.751 -175.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.3 mt -116.83 109.75 17.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.121 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.684 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 17.9 ptm -134.49 158.96 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.382 . . . . 1.0 110.698 -174.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.669 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 78.4 t60 -131.72 121.93 25.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.573 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 54.6 t60 65.01 -106.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.54 -4.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.522 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -102.74 149.53 24.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.619 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.8 tp -103.07 127.12 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.456 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -101.43 -43.63 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.652 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.21 -176.79 33.7 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.201 -0.76 . . . . 1.0 111.201 -176.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.7 mp -139.81 139.95 36.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.785 0.326 . . . . 1.0 110.649 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.585 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.0 tp -103.87 152.81 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.235 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.457 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.3 p -158.97 137.31 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 111.059 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.5 p -119.17 132.87 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.144 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -104.22 131.64 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 1.0 111.061 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -126.61 120.16 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.364 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.96 -23.09 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.645 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.74 163.12 17.82 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.53 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 174' ' ' ARG . 43.2 Cg_endo -69.69 -88.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.807 2.338 . . . . 1.0 112.239 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' PRO . 12.5 tpt180 58.7 120.62 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.74 165.05 27.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.895 2.397 . . . . 1.0 112.179 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -106.81 145.19 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 10.6 t -89.92 153.3 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.651 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -57.26 -31.8 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.437 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -87.28 -48.3 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.416 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.4 -28.14 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.401 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.4 tp -76.24 -46.91 25.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.286 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.66 -53.31 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.8 p -45.35 -40.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.006 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.486 ' N ' ' CG1' ' A' ' 183' ' ' VAL . 55.5 t -71.99 -51.74 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.176 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.09 -29.46 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.987 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -44.72 65.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.96 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 86.0 mt -51.32 -45.62 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.754 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.45 98.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.831 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.666 ' O ' HD13 ' A' ' 193' ' ' ILE . 53.6 t0 -62.12 -40.5 96.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.773 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.8 -29.26 70.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.0 109.86 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.4 t -77.3 -47.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 13.5 p -54.26 -35.53 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.949 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 189' ' ' ASP . 1.3 mp -66.45 -35.81 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.129 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.261 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.5 mt -55.98 -49.01 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.21 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.669 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -66.06 -49.55 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.23 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.91 -48.07 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.335 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.309 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -52.19 -41.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.393 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.01 -33.94 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.389 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.4 m -52.02 -60.07 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 202' ' ' LEU . 9.8 mp . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.636 HBB2 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 66.1 t0 -51.97 -33.56 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.13 -49.47 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 38' ' ' THR . 95.5 mt -60.42 -46.06 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' OG1' ' A' ' 38' ' ' THR . 22.3 mt -58.18 -32.13 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.699 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.54 ' O ' HG12 ' A' ' 39' ' ' VAL . 36.3 mtp180 -68.44 -39.21 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.04 -25.49 58.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.739 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 34' ' ' ILE . 34.2 p -69.74 -38.1 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.684 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.664 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -68.78 -25.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.717 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -78.57 -37.95 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.72 -54.15 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.718 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 43' ' ' ARG . 26.1 m -53.57 -47.83 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.729 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' N ' ' A' ' 47' ' ' GLY . 43.3 ttt180 -52.07 -45.95 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.56 62.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -67.94 -35.49 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.58 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.41 -14.6 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.545 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.01 27.15 6.47 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.561 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 12.8 p -76.28 142.63 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 1.0 110.608 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.78 -45.82 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.689 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 43.4 ttt180 -143.24 134.46 25.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.874 -175.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 10.8 t -139.81 130.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.826 -0.624 . . . . 1.0 109.965 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 147.4 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 1.0 111.116 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 66' ' ' ALA . 63.1 t -98.23 138.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.862 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.0 t80 -116.34 115.01 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.092 0.473 . . . . 1.0 111.196 -177.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -91.67 130.17 37.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.001 179.17 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 3.9 t80 -98.03 128.98 44.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.905 0.383 . . . . 1.0 110.964 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 4.6 m-20 -91.82 151.17 41.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.476 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.5 -19.54 36.91 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.871 2.381 . . . . 1.0 112.123 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.56 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.66 -17.27 59.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 73.1 m80 -77.49 150.08 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 1.0 110.673 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -136.71 159.32 24.49 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.6 p -135.14 158.79 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 1.0 110.585 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -90.12 107.5 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.636 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -104.46 -5.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -154.91 126.13 7.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.512 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.615 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.8 tt0 -158.62 139.23 12.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.44 134.64 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.616 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -114.17 140.62 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.607 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' HA2' HH22 ' A' ' 43' ' ' ARG . . . -99.2 137.92 13.55 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.03 34.89 0.33 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.67 16.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.355 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 63.6 ttt180 -53.29 -46.52 69.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.529 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.82 148.75 36.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.547 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.658 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 39.8 Cg_endo -67.6 157.31 62.34 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.815 2.343 . . . . 1.0 112.002 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 t -89.0 119.51 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.727 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.689 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 21.0 mt -103.12 8.8 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 tp -62.55 139.27 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.545 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.33 81.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 80' ' ' LEU . 86.4 mt -86.33 145.96 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.53 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 81' ' ' THR . 14.3 t -104.43 132.54 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -100.38 139.19 20.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.87 137.08 28.87 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.721 2.281 . . . . 1.0 112.126 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.92 84.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.05 -19.06 3.37 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -69.62 -27.82 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 1.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PRO . 5.7 mt -114.98 91.1 25.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.632 ' O ' ' O ' ' A' ' 87' ' ' ILE . 75.0 Cg_exo -37.4 -113.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.878 2.385 . . . . 1.0 112.166 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.45 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.8 tt0 -159.04 -53.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.633 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -48.32 -41.9 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.708 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.99 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.798 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -63.95 -33.94 76.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.638 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 64.8 mmt-85 -63.31 -37.1 85.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -35.15 74.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.479 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 55.7 m-85 -67.76 -34.83 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.459 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 36.6 ttm180 -88.95 -19.44 25.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.812 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 70.7 mt -93.47 -51.76 4.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.208 -176.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 127' ' ' LEU . . . -112.81 -11.13 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.18 -172.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.61 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 0.9 OUTLIER 44.65 48.85 8.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.837 -178.406 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 24.2 t -155.41 115.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.36 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 5.4 mtp85 -169.37 128.61 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.496 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.4 p -145.09 155.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.612 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 51.6 mt -106.57 129.32 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.53 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.3 p -84.89 173.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.422 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.692 ' H ' HG22 ' A' ' 104' ' ' VAL . 65.5 t0 -51.99 117.84 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.582 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 140' ' ' VAL . 11.3 p -51.93 -20.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.556 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.12 -39.64 82.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.435 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.03 -12.1 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.54 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 52.54 69.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 p -94.52 122.62 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.197 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -110.64 135.93 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.028 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.535 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.1 p -117.71 153.38 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.897 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.565 HG22 ' N ' ' A' ' 114' ' ' SER . 36.4 mt -154.48 160.87 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 1.0 111.009 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.565 ' N ' HG22 ' A' ' 113' ' ' ILE . 57.3 m -71.29 162.04 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.412 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -158.04 151.04 18.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.679 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.05 131.94 26.68 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.825 2.35 . . . . 1.0 112.029 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 46.85 76.89 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.4 t -62.3 -97.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.59 ' HE1' ' CB ' ' A' ' 122' ' ' SER . 63.3 t-105 -142.62 160.81 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.537 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.36 -177.19 51.73 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' SER . 52.1 mt -57.38 -45.72 84.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 1.0 110.557 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.59 ' CB ' ' HE1' ' A' ' 119' ' ' TRP . 35.5 m 39.63 36.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.555 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -63.67 -55.75 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -48.93 -12.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.618 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 123' ' ' ALA . 8.8 t -99.98 130.75 25.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.564 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 128' ' ' GLY . 73.8 Cg_endo -75.81 160.36 37.56 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.804 2.336 . . . . 1.0 112.055 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.605 ' C ' ' H ' ' A' ' 129' ' ' GLU . 54.3 mt 57.71 -79.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.498 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 67.51 -29.3 0.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.605 ' H ' ' C ' ' A' ' 127' ' ' LEU . 65.5 mm-40 -127.4 136.12 28.45 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 1.0 110.623 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -46.44 157.51 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.934 2.423 . . . . 1.0 112.192 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.42 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 57.5 mt -57.99 -32.01 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.482 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -129.69 132.03 46.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.496 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -132.51 154.92 81.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.59 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.81 139.8 17.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.894 2.396 . . . . 1.0 112.28 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 139' ' ' HIS . 3.2 p -108.05 126.42 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.412 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.535 ' N ' ' OG ' ' A' ' 112' ' ' SER . 13.5 t70 -38.01 137.61 0.73 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -47.34 -43.34 26.71 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.95 2.433 . . . . 1.0 111.706 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.448 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -52.85 -30.06 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.56 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.644 ' NE2' ' NA ' ' A' ' 301' ' ' CYC . 1.0 OUTLIER -88.25 -27.76 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.112 177.735 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.554 HG13 HG23 ' A' ' 106' ' ' VAL . 86.3 t -59.37 -50.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.225 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -63.53 -46.56 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.1 -43.84 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.3 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.17 -45.41 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -53.97 -44.31 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.7 m -64.18 -17.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.57 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.6 mmm -96.19 -4.67 42.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.89 20.81 72.71 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.6 136.1 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 1.0 110.62 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.09 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.1 m -130.41 114.92 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.006 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.5 m -131.38 143.73 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.023 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 mt -102.2 130.53 48.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.012 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.97 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.01 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 166' ' ' LEU . 42.8 t -108.89 123.01 38.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.969 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.11 156.01 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.883 2.388 . . . . 1.0 112.807 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.9 mt -116.25 108.87 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.611 . . . . 1.0 110.183 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.5 ptm -136.01 161.0 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 1.0 110.719 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.554 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 54.9 t-80 -143.38 122.39 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 0.8 OUTLIER 77.0 -114.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.546 -177.728 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -117.74 -4.8 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.482 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -106.41 158.74 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.63 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.407 ' HB2' ' HE ' ' A' ' 96' ' ' ARG . 25.3 tp -108.51 129.46 55.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.447 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -100.52 -41.93 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.88 -176.3 33.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.158 -0.777 . . . . 1.0 111.158 -177.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.6 mp -138.72 139.56 38.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 1.0 110.647 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.555 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.2 tp -104.74 153.49 21.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.152 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.429 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 11.3 p -160.98 138.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 1.0 111.081 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 48' ' ' THR . 89.8 p -116.56 137.34 52.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.121 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -106.17 127.94 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 1.0 111.032 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.416 ' HE2' ' HD3' ' A' ' 174' ' ' ARG . 1.6 t-80 -125.09 119.7 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.393 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.95 -22.27 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.72 156.24 43.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.526 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.47 -81.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.807 2.338 . . . . 1.0 112.172 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.416 ' HD3' ' HE2' ' A' ' 170' ' ' HIS . 55.7 mtp85 50.64 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.408 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.45 164.95 1.77 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.863 2.375 . . . . 1.0 112.216 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -109.69 148.3 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 17.0 t -88.3 151.15 22.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.629 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.95 -27.8 68.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.427 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -81.16 -56.12 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.73 -37.06 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.364 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.25 -46.61 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.324 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -70.74 -51.27 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.199 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.3 t -44.35 -42.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 71.2 t -72.68 -49.98 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.169 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -46.83 -31.34 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.979 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.4 -46.17 70.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.904 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.92 -43.91 60.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.822 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.83 84.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.79 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.96 -38.26 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.796 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.01 -32.93 73.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.92 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.5 -49.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.036 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -33.46 52.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 1.0 109.944 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.5 mt -66.65 -33.96 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.129 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.37 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.265 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.7 mt -54.3 -57.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.257 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.554 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -63.35 -48.38 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.277 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -60.6 -47.18 87.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.259 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.2 77.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.355 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -50.87 -38.76 51.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 53.8 mt -48.19 -32.94 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 78.7 p -51.33 -59.57 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.455 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.523 179.802 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.772 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -54.25 -32.24 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -76.69 -49.79 15.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.7 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 38' ' ' THR . 96.6 mt -57.37 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.659 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.688 HD22 HH12 ' A' ' 55' ' ' ARG . 89.8 mt -56.47 -32.48 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.67 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.539 ' O ' HG12 ' A' ' 39' ' ' VAL . 69.4 ttt180 -64.06 -40.95 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.52 -26.84 58.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.751 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 34' ' ' ILE . 74.4 p -68.4 -36.75 79.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.66 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.704 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -71.32 -26.62 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.702 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.13 -40.09 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.659 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.94 -53.13 9.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.732 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG13 ' N ' ' A' ' 43' ' ' ARG . 11.3 p -52.62 -47.83 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.75 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.4 ttt-85 -53.83 -44.89 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.26 -41.66 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.612 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -65.83 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.57 -12.85 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.491 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.9 27.28 4.79 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 13.2 p -76.2 144.17 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 1.0 110.629 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -45.04 -45.84 11.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.679 ' HE ' ' CE1' ' A' ' 169' ' ' HIS . 11.1 ptt180 -147.33 145.53 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.874 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 30.0 t -144.78 133.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.977 175.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HZ3' HD12 ' A' ' 77' ' ' LEU . 40.7 mttt -136.03 149.22 48.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 111.189 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 166' ' ' LEU . 51.3 t -100.18 137.61 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.911 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.477 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 27.7 t80 -117.72 114.34 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.397 . . . . 1.0 111.226 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.688 HH12 HD22 ' A' ' 35' ' ' LEU . 6.5 mmp_? -94.65 137.89 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.93 140.31 36.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 1.0 110.929 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' HIS . 35.8 m-20 -99.85 151.53 37.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.532 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.77 -20.21 16.67 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.842 2.362 . . . . 1.0 112.068 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.47 1.96 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 -15.93 61.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 57' ' ' ASP . 33.8 m80 -75.36 146.69 40.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 1.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.84 156.07 21.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 157.67 45.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 1.0 110.563 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.46 108.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.21 -2.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.438 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.704 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.58 125.71 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -157.32 138.41 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.461 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.75 143.78 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.657 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -124.96 140.84 52.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.58 141.7 15.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.629 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.41 44.15 3.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 71' ' ' GLY . 18.0 pt-20 32.63 29.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 1.0 110.61 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.1 tpp85 -66.71 -44.12 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.437 HD13 HH11 ' A' ' 50' ' ' ARG . 25.7 mt -117.22 146.36 38.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.41 166.41 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.792 2.328 . . . . 1.0 111.973 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -97.7 126.8 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.727 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.595 HD12 ' HZ3' ' A' ' 52' ' ' LYS . 17.7 mt -96.28 11.75 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.75 134.63 57.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.489 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -10.35 70.5 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 77' ' ' LEU . 65.1 mt -83.93 145.09 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 1.0 110.52 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 p -107.41 139.06 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.392 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -108.16 141.28 22.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.424 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -72.19 137.02 27.95 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.754 2.303 . . . . 1.0 112.154 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -62.89 -35.79 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.804 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.17 -17.26 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 84' ' ' ALA . 92.6 m-20 -70.11 -27.22 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.0 110.511 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.7 mm -113.69 101.46 53.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.4 Cg_exo -44.77 -116.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.894 2.396 . . . . 1.0 112.092 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.7 tt0 -156.11 -54.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -46.87 -43.36 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.5 -46.51 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.764 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -54.39 -34.0 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.64 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -64.21 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.541 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.5 ' CD1' HH21 ' A' ' 133' ' ' ARG . 27.9 mt -60.91 -35.51 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 -177.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 32.2 m-85 -68.52 -30.81 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.658 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -91.94 -21.66 20.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.793 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 97' ' ' LEU . 75.9 mt -92.0 -49.42 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.222 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.23 -12.4 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.251 -173.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.9 OUTLIER 43.52 57.66 3.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.844 -179.312 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 99' ' ' GLN . 6.5 m -157.96 124.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.409 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 101' ' ' ARG . 1.1 tpm_? -165.16 128.51 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.49 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.38 151.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.575 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.2 mt -113.94 129.41 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 105' ' ' ASP . 7.6 t -87.57 174.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.437 -176.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.732 ' H ' HG12 ' A' ' 104' ' ' VAL . 29.9 m-20 -50.79 117.77 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.576 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 106' ' ' VAL . 25.5 t -50.71 -14.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.53 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.2 tt0 -67.12 -40.85 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.393 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.41 1.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.483 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' A' ' 107' ' ' GLU . 14.0 pt20 37.44 70.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 p -89.67 123.5 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.256 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -111.52 140.38 46.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.997 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -122.38 157.57 31.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.864 178.11 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 112' ' ' SER . 23.7 pt -156.98 163.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.924 0.392 . . . . 1.0 111.033 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.5 t -74.45 169.79 17.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.384 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 116' ' ' PRO . 46.8 tt0 -173.33 66.8 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.638 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLN . 3.9 Cg_exo -32.78 148.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.786 2.324 . . . . 1.0 112.048 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 53.98 93.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.504 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.8 p -149.12 177.55 9.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.528 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -61.41 150.34 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.537 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 156.12 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.9 mp -54.63 -57.55 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.6 t -169.21 175.22 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.473 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' HB3' ' NH2' ' A' ' 124' ' ' ARG . . . -78.91 -3.48 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.554 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 123' ' ' ALA . 15.6 mmp_? -58.05 -22.11 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.64 128.42 32.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.583 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.44 153.7 31.08 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.76 2.306 . . . . 1.0 112.099 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 66.3 mt 57.56 -104.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.547 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.66 -23.83 30.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -130.88 159.17 72.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 1.0 110.527 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.544 ' C ' ' H ' ' A' ' 132' ' ' GLN . 83.1 Cg_exo -46.81 166.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.906 2.404 . . . . 1.0 112.233 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.82 5.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.544 ' H ' ' C ' ' A' ' 130' ' ' PRO . 24.3 mm-40 -138.55 159.39 42.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.498 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.5 HH21 ' CD1' ' A' ' 94' ' ' LEU . 22.2 tpt85 -135.65 88.02 24.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.551 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.427 ' O ' ' OG ' ' A' ' 112' ' ' SER . 76.4 Cg_exo -48.65 141.61 20.05 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.018 2.479 . . . . 1.0 112.266 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 135' ' ' VAL . 13.8 m -115.63 130.68 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.396 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.593 ' HB2' HMD2 ' A' ' 301' ' ' CYC . 0.4 OUTLIER -41.48 154.67 0.23 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.797 178.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.49 -12.32 10.69 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.985 2.456 . . . . 1.0 111.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.967 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.9 OUTLIER -68.56 -40.09 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.64 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -84.0 -27.99 28.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.079 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -55.61 -64.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.249 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -56.73 -41.7 77.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.409 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 146' ' ' MET . 76.3 t80 -49.23 -46.6 46.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.3 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.82 -48.89 43.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -56.94 -45.52 82.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -64.17 -18.0 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.569 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 19.1 mmm -97.11 -2.58 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.86 22.74 65.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.454 ' CG2' ' NH1' ' A' ' 50' ' ' ARG . 74.1 t -107.41 139.69 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.664 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.08 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.171 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.4 t -135.27 123.1 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.063 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.2 t -132.3 141.01 48.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.972 0.415 . . . . 1.0 110.984 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 176' ' ' TYR . 1.8 tp -100.37 135.77 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.045 177.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 167' ' ' VAL . 48.6 t -113.47 126.36 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 1.0 110.98 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 t -129.65 113.85 17.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.981 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.3 152.02 43.98 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.891 2.394 . . . . 1.0 112.849 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.587 HD12 HH21 ' A' ' 55' ' ' ARG . 42.7 mt -116.74 110.6 18.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.079 178.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.522 ' N ' ' OG ' ' A' ' 192' ' ' SER . 11.1 ptm -135.67 153.91 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 1.0 110.704 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.471 ' ND1' ' CB ' ' A' ' 196' ' ' ALA . 80.0 t60 -122.42 122.39 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.515 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.0 m80 59.38 -102.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.525 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -116.74 -7.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.485 -177.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.83 148.78 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.626 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.67 124.87 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.437 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.421 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 76.9 m95 -101.48 -42.87 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.683 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.45 -175.89 33.95 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.153 -0.779 . . . . 1.0 111.153 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.5 143.43 35.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.814 0.34 . . . . 1.0 110.707 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.576 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -107.59 153.4 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.424 HG23 HG22 ' A' ' 153' ' ' VAL . 10.7 p -160.53 138.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 1.0 111.017 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 41.7 m -120.49 140.63 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.136 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.679 ' CE1' ' HE ' ' A' ' 50' ' ' ARG . 8.0 m80 -118.25 137.72 52.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.012 -178.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.505 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.3 t-80 -131.11 132.4 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.39 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.505 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -62.14 -23.47 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.64 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.09 151.44 49.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.556 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.43 -72.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.882 2.388 . . . . 1.0 112.209 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.828 ' HE ' ' H ' ' A' ' 174' ' ' ARG . 0.0 OUTLIER 47.8 75.83 0.62 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.97 172.67 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.796 2.33 . . . . 1.0 112.274 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.408 ' CD1' HD13 ' A' ' 152' ' ' LEU . 96.2 m-85 -118.39 139.6 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.429 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 11.3 m -84.0 151.74 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.64 -28.37 68.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.455 ' OE2' ' CG1' ' A' ' 183' ' ' VAL . 5.7 tm-20 -85.22 -53.03 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.463 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.38 -25.85 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.394 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.56 -38.26 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.363 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -70.82 -57.57 4.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.244 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.455 ' CG1' ' OE2' ' A' ' 179' ' ' GLU . 19.3 m -47.73 -36.17 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.142 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 29.4 t -73.27 -53.14 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.138 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -45.97 -35.52 4.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.97 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.09 -39.3 72.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.925 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 8.5 tp -53.66 -46.48 70.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.833 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.848 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -56.53 -33.9 66.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 1.0 109.738 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -73.27 -28.39 62.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.809 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 -50.25 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.054 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.4 t -51.66 -27.97 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.949 177.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 47.1 mt -75.96 -31.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.105 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.33 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.285 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 196' ' ' ALA . 21.6 pt -68.97 -27.64 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.24 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.471 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -74.89 -53.68 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.202 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.4 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 14.8 pt20 -67.3 -36.98 82.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.305 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -66.57 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.305 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -52.62 -41.35 63.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.489 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 47.8 mt -47.95 -29.14 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 96.6 p -54.98 -58.64 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.44 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.542 179.554 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.967 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.76 0.314 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -48.97 -34.21 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.593 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.24 -49.79 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 38' ' ' THR . 5.0 mm -58.84 -46.24 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.611 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' ' OG1' ' A' ' 38' ' ' THR . 39.9 mt -57.65 -32.44 67.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.615 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 39' ' ' VAL . 46.8 ttp180 -64.77 -40.79 95.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.795 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -26.03 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.71 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.2 p -69.38 -36.4 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.673 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.711 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.1 p -72.33 -24.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.699 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -74.67 -47.72 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.737 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 85.1 tt0 -70.38 -43.07 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.73 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 38' ' ' THR . 44.4 t -53.27 -55.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' A' ' 47' ' ' GLY . 65.4 ttt-85 -49.0 -42.06 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.717 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 41' ' ' GLU . . . -55.1 -45.38 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.648 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.44 -39.07 93.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.55 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.7 -12.0 28.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.541 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.36 25.76 3.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 17.5 p -76.55 145.72 38.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 1.0 110.552 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -42.35 -48.41 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.453 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.477 HH21 HG21 ' A' ' 148' ' ' VAL . 26.0 ptt180 -151.0 145.55 25.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.859 -177.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 12.3 t -142.27 135.16 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.964 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HZ1' ' HD2' ' A' ' 50' ' ' ARG . 27.3 mttm -136.17 149.86 48.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 1.0 111.192 -176.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.699 HG22 ' CD1' ' A' ' 166' ' ' LEU . 47.2 t -100.69 137.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.846 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.4 t80 -117.63 118.68 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 1.0 111.227 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -103.47 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.009 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.612 ' CG ' ' NH2' ' A' ' 92' ' ' ARG . 19.5 m-85 -102.58 146.82 27.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 1.0 110.869 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.0 m-20 -102.03 150.84 37.81 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.65 -22.44 1.82 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.784 2.323 . . . . 1.0 112.132 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -98.03 0.47 46.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.526 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.39 -14.08 61.09 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.597 ' O ' ' N ' ' A' ' 57' ' ' ASP . 21.0 m80 -71.98 144.01 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 1.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.86 152.69 19.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 p -133.94 157.2 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 1.0 110.541 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -89.79 108.0 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -104.52 -4.02 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.03 124.92 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.601 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.1 tm-20 -156.76 139.55 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.452 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.2 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.607 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -122.48 140.83 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.584 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.08 140.91 15.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.98 34.93 0.6 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 42.45 18.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.616 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.0 tpm_? -53.67 -44.27 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.594 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.93 149.1 48.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.593 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.18 166.29 23.71 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.839 2.359 . . . . 1.0 112.059 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 67' ' ' GLU . 26.0 t -99.09 131.67 44.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.629 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 80' ' ' LEU . 21.3 mt -98.86 14.79 27.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 79' ' ' GLY . 0.6 OUTLIER -68.0 134.99 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 -177.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.481 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 86.54 -10.71 66.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 77' ' ' LEU . 76.1 mt -83.76 148.71 26.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 1.0 110.526 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 p -107.95 136.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.74 139.26 19.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.463 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -71.49 139.3 34.18 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.815 2.343 . . . . 1.0 112.092 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.774 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.04 -19.22 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.56 -9.84 55.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 1.0 110.561 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.9 mt -136.96 132.14 18.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.615 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.46 -102.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.882 2.388 . . . . 1.0 112.097 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -170.47 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -50.58 -46.05 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.707 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.17 76.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.612 ' NH2' ' CG ' ' A' ' 56' ' ' PHE . 76.7 ttt180 -64.72 -32.35 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.637 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' LEU . 65.4 mtp85 -63.96 -38.58 91.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.539 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 10.7 mt -58.57 -36.45 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.547 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 66.2 m-85 -68.47 -28.54 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.724 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -95.05 -23.3 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 93' ' ' ARG . 65.0 mt -91.22 -49.26 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.149 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.5 -10.53 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.163 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER 41.59 58.37 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.807 -179.403 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.5 p -160.63 122.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.36 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.629 HH22 ' CG1' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -169.11 129.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 152.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.596 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.629 ' CG1' HH22 ' A' ' 101' ' ' ARG . 5.4 mt -108.69 128.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.571 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.686 HG22 ' H ' ' A' ' 105' ' ' ASP . 5.5 p -85.25 172.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.471 -177.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 104' ' ' VAL . 56.8 m-20 -51.69 117.76 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.442 HG23 ' CG1' ' A' ' 140' ' ' VAL . 12.2 p -51.03 -18.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.605 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -72.67 -37.73 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -14.6 8.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.524 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 53.74 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.729 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.7 m -93.95 124.18 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.28 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.7 ptt-85 -111.4 138.35 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.968 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.533 ' OG ' ' C ' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -124.59 156.64 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.871 178.049 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 114' ' ' SER . 36.7 mt -154.77 160.92 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.966 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.561 ' N ' HG22 ' A' ' 113' ' ' ILE . 72.6 p -74.82 173.69 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.376 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -144.48 80.44 11.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.621 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -77.82 82.21 2.48 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.872 2.382 . . . . 1.0 112.068 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 119' ' ' TRP . 96.0 mt-10 -140.96 115.48 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.497 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 119' ' ' TRP . 1.8 t 71.47 -29.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.56 ' CD2' ' N ' ' A' ' 120' ' ' GLY . 64.2 t90 50.29 176.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.56 ' N ' ' CD2' ' A' ' 119' ' ' TRP . . . 96.64 -12.68 66.02 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.854 -0.899 . . . . 1.0 110.854 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -95.59 55.29 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 1.0 110.569 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.5 m -55.9 -41.72 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 124' ' ' ARG . . . -63.52 -20.87 65.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.571 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.626 ' HE ' ' CA ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER 79.32 -154.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.573 -179.623 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.2 t -96.39 130.19 31.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.57 138.6 21.9 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.81 2.34 . . . . 1.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.0 mt 56.39 -163.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.562 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.18 91.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.447 ' OE1' HG21 ' A' ' 100' ' ' VAL . 3.4 pt-20 -114.3 97.42 45.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.398 . . . . 1.0 110.596 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.464 ' C ' ' H ' ' A' ' 132' ' ' GLN . 73.5 Cg_exo -48.4 160.53 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.952 2.435 . . . . 1.0 112.209 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 68.1 mt -50.01 -11.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 130' ' ' PRO . 6.6 mm100 -131.72 133.27 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -109.8 124.49 33.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.531 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.533 ' C ' ' OG ' ' A' ' 112' ' ' SER . 71.7 Cg_endo -76.98 139.75 19.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.02 2.48 . . . . 1.0 112.317 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' A' ' 112' ' ' SER . 2.3 m -120.58 132.01 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.443 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -37.29 152.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.711 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.03 -33.58 95.31 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.96 2.44 . . . . 1.0 111.816 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -61.84 -31.14 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.535 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.655 ' CD2' ' ND ' ' A' ' 301' ' ' CYC . 14.2 t-80 -87.49 -31.0 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.115 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 136' ' ' ASP . 95.0 t -61.42 -47.43 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.231 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -65.47 -45.94 81.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.397 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -45.87 -38.44 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.305 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.01 -40.95 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.466 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -57.77 -45.32 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.532 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.4 m -63.28 -16.4 60.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 177.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.4 mmm -96.17 -0.19 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.473 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.57 19.69 77.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.477 HG21 HH21 ' A' ' 50' ' ' ARG . 96.7 t -104.34 140.08 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 1.0 110.678 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.49 -53.24 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.16 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.2 t -130.86 116.63 18.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.061 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.4 t -130.8 142.98 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 1.0 110.921 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.3 tp -101.56 132.7 47.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.076 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.87 129.26 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 1.0 111.039 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 t -133.29 121.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.995 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.57 150.62 24.85 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.92 2.413 . . . . 1.0 112.81 -175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.3 108.27 17.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.058 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.5 ptm -136.81 162.92 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 1.0 110.684 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.519 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 50.0 t-80 -145.84 121.89 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 58.0 t60 79.05 -114.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.487 -177.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -118.01 -3.01 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.467 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.29 159.6 16.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.604 -176.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.403 HD23 ' HE ' ' A' ' 92' ' ' ARG . 29.6 tp -107.28 129.5 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.461 177.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -100.05 -44.01 6.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.93 -176.22 30.73 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -138.84 133.92 32.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 1.0 110.73 -179.271 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.699 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.7 tp -104.51 153.82 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.205 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.5 p -163.44 139.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 1.0 111.024 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 25.9 p -117.15 135.62 53.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.2 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -112.52 135.41 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 1.0 110.984 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -127.99 135.66 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.37 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.463 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -89.2 30.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.647 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 9.9 mp0 -154.29 135.03 8.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.5 111.87 3.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.795 2.33 . . . . 1.0 112.223 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -147.82 142.59 16.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.37 150.73 37.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.85 2.367 . . . . 1.0 112.146 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -104.69 155.09 19.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.442 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.9 t -90.8 150.5 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.617 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.95 -29.75 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.422 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -77.45 -47.24 20.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.455 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.9 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.331 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -70.3 -53.71 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.195 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 60.1 t -43.61 -43.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.05 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.49 -50.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -49.35 -38.11 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.935 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.42 -44.24 62.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.93 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 187' ' ' LEU . 2.5 tt -51.35 -45.88 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.849 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.761 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.94 -35.96 76.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.737 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.26 -29.09 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.889 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.36 -48.95 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.064 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.6 p -54.02 -32.96 55.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.012 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.61 -33.05 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.077 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.65 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.301 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.9 mt -55.22 -55.29 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.519 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -64.34 -48.23 76.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.273 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.0 -46.91 88.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.268 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.69 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.336 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -51.48 -40.08 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.426 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 200' ' ' LEU . 36.4 mt -47.78 -30.9 4.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.445 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 78.9 p -51.2 -59.27 4.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.549 179.627 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.709 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.8 p-10 -53.29 -31.52 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.582 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 21.3 tp60 -77.45 -47.14 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 38' ' ' THR . 22.1 mm -58.38 -49.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' O ' ' OG1' ' A' ' 38' ' ' THR . 81.4 mt -59.18 -33.77 71.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.654 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.664 ' O ' HG12 ' A' ' 39' ' ' VAL . 52.9 mtp85 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.769 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -26.26 60.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.733 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.5 p -68.37 -33.87 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.666 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.744 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.9 p -71.27 -28.32 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.693 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -79.47 -43.52 23.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.658 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.69 -53.1 30.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.694 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 43' ' ' ARG . 7.1 p -51.93 -45.73 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.77 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.745 ' O ' ' N ' ' A' ' 47' ' ' GLY . 63.4 ttt180 -47.75 -43.69 27.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.744 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.39 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.517 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 48' ' ' THR . 5.1 mt -95.44 -11.29 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.47 -178.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.745 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.22 27.27 1.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 46' ' ' LEU . 2.9 p -75.98 142.89 41.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.827 0.346 . . . . 1.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 94.2 m-20 -50.87 -40.83 57.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.452 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.753 HH22 ' HE ' ' A' ' 73' ' ' ARG . 5.7 mtt-85 -146.21 137.76 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.914 -176.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 7.8 p -145.91 132.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.962 175.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HZ2' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mttm -134.76 148.53 50.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 1.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.81 HG22 ' CD1' ' A' ' 166' ' ' LEU . 22.2 t -102.11 139.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.861 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.3 t80 -121.98 122.95 40.51 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.716 -0.393 . . . . 1.0 111.209 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -102.92 142.05 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.987 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.638 ' CZ ' ' NH1' ' A' ' 92' ' ' ARG . 16.1 m-85 -103.31 144.59 31.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 1.0 110.946 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.1 m-20 -102.05 148.95 36.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.41 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.29 -21.2 1.78 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -95.15 2.29 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.634 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.88 62.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.595 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.4 m80 -75.48 147.29 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 1.0 110.615 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.24 158.04 23.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -134.31 157.98 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 1.0 110.577 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 80' ' ' LEU . 10.0 p -92.86 109.65 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.636 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.27 -0.1 10.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.397 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.74 124.95 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.596 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 72.1 tt0 -152.96 138.01 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.461 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.25 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.642 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -127.46 144.3 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.643 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.6 148.11 16.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.92 30.62 0.38 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 43.09 16.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.578 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HE ' HH22 ' A' ' 50' ' ' ARG . 18.3 ttp180 -52.23 -37.93 56.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.591 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD12 ' HD2' ' A' ' 75' ' ' PRO . 10.4 tp -116.23 131.91 23.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD2' HD12 ' A' ' 74' ' ' LEU . 21.1 Cg_endo -59.54 145.64 97.45 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.779 2.32 . . . . 1.0 112.039 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.1 p -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.639 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.587 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 mt -96.67 6.05 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.519 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.535 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.8 tp -57.6 136.96 56.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.553 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -7.65 81.33 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.742 ' O ' HG12 ' A' ' 64' ' ' VAL . 81.9 mt -86.66 141.59 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 1.0 110.529 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -103.3 136.41 43.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.57 137.77 19.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.497 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.64 144.73 40.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.74 2.293 . . . . 1.0 112.145 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.33 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.813 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.92 -17.23 1.46 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -145.88 100.58 4.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.606 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 95.1 Cg_exo -41.74 -93.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.899 2.399 . . . . 1.0 112.074 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.8 tt0 -173.41 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.556 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -52.96 -45.07 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.65 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.04 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.791 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.638 ' NH1' ' CZ ' ' A' ' 56' ' ' PHE . 33.7 mtp85 -65.89 -32.9 74.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.686 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -63.49 -39.19 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.556 HD13 HH12 ' A' ' 101' ' ' ARG . 12.7 mt -57.21 -36.09 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.636 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 70.2 m-85 -70.01 -28.88 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.477 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 64.0 mtp180 -84.44 -24.87 29.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.862 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 66.7 mt -106.47 -45.11 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.15 -176.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -94.89 -24.88 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.205 -173.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.56 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 1.8 mp0 41.92 55.41 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.829 -178.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.565 ' O ' ' NE ' ' A' ' 101' ' ' ARG . 7.7 p -167.97 127.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.357 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.58 ' CZ ' ' NH1' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -170.31 132.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.462 177.536 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -147.41 153.65 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.629 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -108.94 128.69 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 105' ' ' ASP . 4.5 p -84.45 173.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.47 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.689 ' H ' HG22 ' A' ' 104' ' ' VAL . 66.0 t0 -51.15 117.6 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.531 HG23 ' CG1' ' A' ' 140' ' ' VAL . 13.3 p -50.63 -18.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.533 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -69.79 -38.62 76.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.425 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.54 -13.56 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.584 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 52.36 69.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -95.99 123.3 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.271 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -111.59 142.11 44.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -126.84 160.44 30.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.855 178.076 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 112' ' ' SER . 17.9 pt -158.55 164.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.922 0.391 . . . . 1.0 111.074 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -77.69 174.32 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.457 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -132.14 73.94 77.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -49.1 153.24 4.31 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.77 2.313 . . . . 1.0 112.098 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 48.38 66.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.2 t -155.49 145.48 21.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -55.17 -28.07 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.512 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 99.36 0.28 56.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 120' ' ' GLY . 6.1 tp 47.02 100.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 1.0 110.581 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -55.21 143.57 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.523 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.482 ' C ' ' N ' ' A' ' 125' ' ' VAL . . . -79.25 -10.5 59.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.567 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -46.05 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.482 ' N ' ' C ' ' A' ' 123' ' ' ALA . 1.5 m -103.79 155.86 36.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.55 168.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.764 2.309 . . . . 1.0 112.156 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.645 HD12 ' H ' ' A' ' 127' ' ' LEU . 9.0 mp -42.72 -51.44 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.16 36.92 93.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -145.2 157.48 53.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.664 ' C ' ' H ' ' A' ' 132' ' ' GLN . 13.6 Cg_endo -53.88 169.7 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.012 2.475 . . . . 1.0 112.167 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.409 ' O ' ' NE2' ' A' ' 132' ' ' GLN . 8.1 mp -62.12 13.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.548 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.664 ' H ' ' C ' ' A' ' 130' ' ' PRO . 60.7 mm-40 -139.49 160.95 38.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.48 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.58 ' NH1' ' CZ ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -130.82 83.89 60.1 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.549 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.9 142.08 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.923 2.415 . . . . 1.0 112.279 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 135' ' ' VAL . 9.9 m -120.37 131.97 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.437 177.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.737 ' OD2' HMD2 ' A' ' 301' ' ' CYC . 30.3 p-10 -39.95 137.76 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.745 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -42.42 -33.56 2.7 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.98 2.454 . . . . 1.0 111.727 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.794 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.3 OUTLIER -60.99 -35.19 76.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.658 -178.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.473 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 26.4 t-80 -84.05 -30.09 26.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.153 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 106' ' ' VAL . 46.6 t -57.78 -55.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.217 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -60.55 -44.0 96.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.358 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -44.97 -42.81 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.283 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.17 -42.57 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.386 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -57.16 -44.64 83.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.496 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -64.61 -16.66 63.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.535 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 38.9 mmm -96.68 -1.85 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.498 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.34 21.26 70.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 39.1 t -110.56 142.82 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.72 -47.39 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.9 p -131.75 117.47 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.083 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 36.2 p -131.41 144.38 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.007 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -102.95 134.44 46.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 19.8 t -110.92 128.85 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.003 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.3 117.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.967 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.02 150.93 30.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 1.0 112.796 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -113.78 108.48 17.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.145 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 ptm -136.56 157.2 47.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 1.0 110.643 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.625 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 43.1 t-80 -139.02 121.79 16.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.487 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 19.4 t-80 78.11 -114.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.559 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -117.49 -2.41 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.498 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -107.89 158.97 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.607 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 30.2 tp -106.41 130.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -100.26 -44.59 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.688 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.77 -176.36 30.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -139.01 134.6 33.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 1.0 110.671 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.81 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.6 tp -104.18 153.69 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.206 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.1 p -161.6 137.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 1.0 111.049 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.3 p -115.98 138.94 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.129 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -108.88 130.27 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.006 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.463 ' CE1' ' HE ' ' A' ' 174' ' ' ARG . 0.5 OUTLIER -124.9 127.72 47.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.388 177.557 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -90.22 29.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.687 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 27.9 mt-10 -158.58 150.33 17.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.34 84.28 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.767 2.311 . . . . 1.0 112.214 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.463 ' HE ' ' CE1' ' A' ' 170' ' ' HIS . 57.9 ttm-85 -118.72 91.58 42.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 1.0 110.394 -179.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.34 162.21 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 1.0 112.218 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -105.66 142.71 34.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.452 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 30.4 t -89.53 153.41 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -57.35 -34.79 69.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.442 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.33 -54.95 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.459 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.71 -31.74 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.413 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 181' ' ' LEU . 1.4 tt -52.01 -56.89 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -62.13 -48.56 79.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.158 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.51 -50.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.067 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.85 -52.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.091 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.42 -38.38 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.0 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 6.2 tt -74.0 -46.16 45.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.96 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.8 tp -51.45 -45.02 62.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.778 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.69 84.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.762 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -59.34 -37.65 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.694 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.31 -31.94 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.867 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.53 -49.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.035 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.0 p -52.95 -31.35 39.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.938 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.63 -33.93 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.124 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.57 83.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.85 -48.49 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.205 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -65.55 -48.86 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.26 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.32 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.231 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.7 74.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.29 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -53.92 -43.93 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.398 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 45.4 mt -48.73 -35.29 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -53.18 -59.82 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.534 179.59 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.794 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -48.45 -34.42 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.665 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 26.3 mp0 -76.55 -49.78 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.695 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.67 -42.74 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.63 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 38' ' ' THR . 28.3 mt -61.36 -31.65 71.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.581 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.772 ' O ' HG12 ' A' ' 39' ' ' VAL . 67.8 ttp85 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.761 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.65 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.692 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 35' ' ' LEU . 1.5 t -72.12 -32.68 67.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.4 p -70.01 -22.93 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.13 -42.64 59.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.87 -39.86 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 38' ' ' THR . 58.1 t -53.7 -54.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.732 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.715 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.4 ttt-85 -49.6 -42.65 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.749 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.24 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.651 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.01 -41.34 97.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.54 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -94.79 -11.76 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.45 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.05 25.6 2.6 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 12.3 t -76.09 145.42 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 1.0 110.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -41.27 -49.01 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.491 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.488 HH22 ' CE ' ' A' ' 146' ' ' MET . 39.7 ptt180 -151.68 147.0 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.909 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.0 p -144.94 134.15 18.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 176.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.65 ' NZ ' HBB2 ' A' ' 301' ' ' CYC . 23.2 pttt -137.01 151.62 49.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 1.0 111.172 -175.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.574 HG22 ' CD1' ' A' ' 166' ' ' LEU . 59.5 t -100.24 138.3 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.867 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 165' ' ' LEU . 15.9 t80 -121.91 121.9 38.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 1.0 111.186 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -102.66 142.8 33.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.047 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.06 140.69 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 1.0 110.897 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.1 m-20 -100.26 151.1 37.44 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.495 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -42.14 -44.11 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.757 2.304 . . . . 1.0 112.11 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.2 -9.32 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.558 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.81 -8.87 43.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 18.1 m80 -74.46 145.99 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 1.0 110.632 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -131.28 155.03 21.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 HG22 ' A' ' 81' ' ' THR . 7.9 p -134.63 157.49 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.02 109.12 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.672 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 t -105.09 -2.25 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.41 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.68 130.4 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -164.14 141.18 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.18 148.15 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.646 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -135.77 146.17 47.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.626 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.87 149.05 16.72 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 42.58 31.57 1.09 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 42.29 17.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.661 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.1 ttm180 -57.87 -41.88 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.1 mt -116.66 117.91 37.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.593 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.36 168.15 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.774 2.316 . . . . 1.0 112.077 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -98.94 123.32 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.643 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 80' ' ' LEU . 18.7 mt -94.16 10.38 34.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -57.46 133.78 55.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.467 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.66 -12.01 66.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 77' ' ' LEU . 72.9 mt -82.52 143.33 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 1.0 110.5 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.412 HG22 HG22 ' A' ' 63' ' ' THR . 68.1 p -111.82 148.55 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.459 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 20.9 m-85 -118.27 148.13 43.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.5 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 40.6 Cg_endo -74.22 138.65 25.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.689 2.259 . . . . 1.0 112.124 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.756 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.73 -17.45 2.13 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 24.7 p-10 -73.35 -9.63 58.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 1.0 110.556 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.52 ' O ' ' O ' ' A' ' 88' ' ' PRO . 96.7 mt -134.82 94.57 16.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.581 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.1 Cg_exo -39.88 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.852 2.368 . . . . 1.0 112.122 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.435 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.3 tt0 -164.99 -50.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.631 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.5 pt-20 -46.82 -43.2 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.694 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -72.22 -41.76 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.774 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -59.85 -32.66 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.695 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -64.27 -35.51 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.94 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.584 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.687 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 67.9 m-85 -69.02 -35.93 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.715 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.456 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 42.1 ttp180 -87.48 -19.38 28.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 97' ' ' LEU . 58.2 mt -96.13 -50.22 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.206 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.11 -14.7 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.183 -172.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.613 ' O ' HG13 ' A' ' 100' ' ' VAL . 1.1 mp0 45.63 56.56 5.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.81 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.1 m -159.75 124.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.355 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.632 HH22 HBD1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -171.62 127.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 177.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.47 153.78 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.636 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.29 129.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.618 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 105' ' ' ASP . 16.7 t -86.39 173.61 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.393 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.703 ' H ' HG12 ' A' ' 104' ' ' VAL . 56.4 m-20 -48.99 117.54 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.532 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 106' ' ' VAL . 34.9 t -51.41 -12.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.617 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.1 tp10 -76.75 -34.67 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.494 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.27 -13.83 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.527 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 52.64 69.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.751 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 p -89.51 123.73 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.248 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.7 mtt85 -109.04 134.39 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 1.0 110.929 -177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -128.81 108.52 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.913 178.263 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.682 HG22 ' N ' ' A' ' 114' ' ' SER . 71.5 mt -112.71 169.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.982 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.682 ' N ' HG22 ' A' ' 113' ' ' ILE . 54.6 p -74.32 166.92 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.379 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.77 96.95 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -82.12 67.11 8.23 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.831 2.354 . . . . 1.0 112.081 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 119' ' ' TRP . 85.2 tt0 -148.56 130.42 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 119' ' ' TRP . 32.3 t 43.97 -90.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.552 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 117' ' ' GLU . 69.7 t-105 45.53 98.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -80.4 -179.54 52.78 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.432 ' CG ' ' H ' ' A' ' 122' ' ' SER . 5.8 tp -158.37 -127.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.432 ' H ' ' CG ' ' A' ' 121' ' ' LEU . 7.6 t 60.42 136.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.539 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.55 -5.0 40.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -67.25 -21.37 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.1 96.22 44.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.621 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 128' ' ' GLY . 42.1 Cg_exo -56.9 160.4 12.43 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.764 2.309 . . . . 1.0 112.109 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 127' ' ' LEU . 9.6 mp 40.95 -98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 93.46 -2.92 71.32 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' A' ' 133' ' ' ARG . 0.2 OUTLIER -138.27 170.93 9.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 1.0 110.73 -179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.633 ' C ' ' H ' ' A' ' 132' ' ' GLN . 75.1 Cg_exo -48.22 168.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.962 2.441 . . . . 1.0 112.273 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.4 15.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.518 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.633 ' H ' ' C ' ' A' ' 130' ' ' PRO . 47.8 mm-40 -139.95 157.41 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.495 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' A' ' 129' ' ' GLU . 15.7 mmm180 -127.86 113.07 20.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.15 141.35 16.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.896 2.398 . . . . 1.0 112.278 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.65 135.57 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.538 ' HB2' HMD2 ' A' ' 301' ' ' CYC . 1.4 m-20 -40.81 140.39 1.07 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.15 -18.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.922 2.415 . . . . 1.0 111.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.946 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.7 OUTLIER -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.626 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -79.74 -31.13 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.089 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.41 ' CG1' HG13 ' A' ' 106' ' ' VAL . 40.5 t -56.99 -63.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -58.99 -41.92 88.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -46.13 -41.67 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.287 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.77 -44.8 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.426 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.527 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.8 p -65.84 -17.79 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.586 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.488 ' CE ' HH22 ' A' ' 50' ' ' ARG . 16.5 mmm -95.49 -1.08 51.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.462 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.46 20.26 72.2 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.401 HG21 HH21 ' A' ' 50' ' ' ARG . 41.2 t -109.67 143.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.862 0.363 . . . . 1.0 110.631 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.5 -47.09 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.168 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.5 p -131.08 120.2 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.081 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.0 p -131.69 143.32 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 111.048 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.49 136.47 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.08 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.3 127.3 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 1.0 111.039 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.2 t -132.68 120.79 16.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.999 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -78.62 150.81 24.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.965 2.443 . . . . 1.0 112.75 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.0 mt -113.95 110.0 19.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.13 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 ptm -135.08 160.87 36.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 1.0 110.713 -175.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.6 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 84.2 t60 -131.97 122.51 25.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.485 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 0.5 OUTLIER 62.42 -104.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.699 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 13.9 pt20 -116.8 -6.86 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.491 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -101.5 150.46 23.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.588 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.89 125.23 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.45 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -99.29 -42.38 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.635 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.3 -177.27 34.25 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.151 -0.78 . . . . 1.0 111.151 -176.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 54' ' ' TYR . 55.3 mt -135.99 137.81 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.662 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.574 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.8 tp -105.08 151.18 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.195 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.5 p -158.81 135.16 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 1.0 111.05 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.0 p -117.47 135.9 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.172 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 48' ' ' THR . 74.3 m-70 -116.51 134.98 54.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.022 -178.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' A' ' 172' ' ' GLU . 3.8 t60 -130.85 136.81 48.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.428 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -84.36 36.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.648 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' A' ' 170' ' ' HIS . 9.8 mp0 -158.28 152.78 20.5 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.486 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.539 ' O ' ' O ' ' A' ' 174' ' ' ARG . 39.8 Cg_endo -67.66 -97.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.859 2.373 . . . . 1.0 112.161 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.539 ' O ' ' O ' ' A' ' 173' ' ' PRO . 9.5 tpt180 55.25 122.8 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.367 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.07 166.88 25.95 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.875 2.384 . . . . 1.0 112.221 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -107.67 147.84 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.5 m -90.41 152.78 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.584 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.06 -29.81 70.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.377 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -79.98 -55.13 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.436 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.37 -37.35 80.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.445 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.83 -45.74 82.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.232 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.62 -50.28 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.275 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 53.1 t -44.19 -44.99 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.142 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.34 -49.94 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.204 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.27 -33.85 9.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.96 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -44.31 63.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.889 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.89 -44.4 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.83 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.14 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.783 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -61.53 -36.94 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.786 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.54 -29.3 67.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.854 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.28 -48.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.041 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 p -54.7 -32.29 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.97 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 37.2 mt -69.03 -33.58 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.1 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.29 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.299 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 10.7 mt -55.86 -49.37 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.224 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -66.62 -49.73 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.23 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.72 -47.5 86.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.21 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.83 76.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.306 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -52.29 -42.16 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.457 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.0 tp -48.47 -36.1 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.457 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.4 m -50.18 -60.21 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.064 -0.97 . . . . 1.0 110.549 179.721 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.946 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.72 -32.88 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -75.13 -50.81 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.66 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' THR . 96.3 mt -56.66 -49.38 78.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.631 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' O ' ' OG1' ' A' ' 38' ' ' THR . 54.9 mt -56.14 -31.83 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.595 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.614 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.4 ttt180 -63.92 -41.01 97.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.833 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.77 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 42' ' ' VAL . 74.8 p -67.99 -36.27 79.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.664 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.647 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.8 p -70.71 -24.87 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.698 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 95.8 mt-10 -74.04 -35.01 64.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.731 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.49 -37.82 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.674 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 38' ' ' THR . 74.4 t -58.98 -56.52 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.753 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.775 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ptm180 -51.61 -42.92 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.539 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.595 ' CB ' HG23 ' A' ' 48' ' ' THR . 16.9 mt -93.75 -13.75 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.576 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.78 25.41 15.36 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.595 HG23 ' CB ' ' A' ' 46' ' ' LEU . 68.6 p -74.79 142.34 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 1.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.1 m-20 -43.35 -47.98 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.52 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.636 ' HG3' ' HD2' ' A' ' 169' ' ' HIS . 30.8 ptt180 -150.89 145.77 25.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 1.0 110.871 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 8.0 p -150.57 137.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.917 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.626 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 12.2 pttm -138.93 155.21 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 1.0 111.162 -177.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 166' ' ' LEU . 57.4 t -100.33 138.4 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.822 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.5 t80 -124.16 126.64 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 1.0 111.229 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -107.14 146.18 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.99 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.26 140.86 36.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 1.0 110.867 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.2 m-20 -100.42 152.17 37.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.503 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -40.82 -46.48 4.85 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.841 2.361 . . . . 1.0 112.088 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -71.64 -13.14 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 108.41 -6.25 33.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 57' ' ' ASP . 56.5 m80 -74.33 144.65 44.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 1.0 110.512 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -129.5 152.88 19.69 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -133.64 156.71 47.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.89 111.06 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.65 -0.46 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.443 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.647 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.76 127.99 6.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.556 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 75.9 tt0 -162.49 141.67 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.501 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.74 142.89 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.569 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 66.2 mtp180 -107.14 134.53 50.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.59 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -87.03 118.0 4.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.72 43.92 16.63 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 40.14 36.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 1.0 110.609 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -75.8 -49.09 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.554 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' NE ' ' A' ' 69' ' ' ARG . 35.3 mt -120.91 135.45 24.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.46 167.3 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.755 2.303 . . . . 1.0 112.051 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -107.96 126.81 53.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.671 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.553 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 12.7 mt -84.3 21.84 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.7 130.09 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.73 -8.94 75.92 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 77' ' ' LEU . 61.4 mt -84.99 143.37 28.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 1.0 110.544 178.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.4 p -111.5 149.91 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 21.3 m-85 -116.51 146.34 37.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.468 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -70.23 146.57 57.65 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.743 2.296 . . . . 1.0 112.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -70.24 -40.35 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.764 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.47 -15.06 1.09 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 84' ' ' ALA . 54.8 t0 -71.87 -27.28 62.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 1.0 110.508 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.56 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.1 mm -111.82 102.63 53.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.586 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.8 Cg_exo -45.61 -117.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.863 2.376 . . . . 1.0 112.126 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -159.24 -54.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -46.33 -42.94 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.706 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -73.03 -46.5 51.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -54.13 -33.28 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.59 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.73 -33.61 76.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.465 HD13 HH22 ' A' ' 133' ' ' ARG . 39.0 mt -63.56 -33.39 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.541 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.492 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 16.6 m-85 -70.81 -35.85 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 38.5 mtm180 -86.39 -18.91 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.81 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 97' ' ' LEU . 82.4 mt -100.4 -48.7 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.163 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 -16.12 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.146 -173.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.591 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 1.3 mp0 43.33 56.82 4.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.806 -179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 100' ' ' VAL . 12.2 p -157.6 123.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.453 -178.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.689 HH11 ' HE ' ' A' ' 133' ' ' ARG . 15.3 tpt180 -165.27 127.16 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.454 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.2 t -145.73 150.71 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.63 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.532 HD12 ' OG ' ' A' ' 151' ' ' SER . 27.7 mt -109.59 127.41 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.622 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.64 172.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -52.87 118.24 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.42 -19.51 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.635 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -66.18 -42.57 88.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.413 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -61.71 -0.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.534 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.9 pt20 39.84 67.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.754 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -92.43 123.83 36.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.21 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.929 0.395 . . . . 1.0 110.993 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.576 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.9 OUTLIER -119.39 157.04 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.857 177.425 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' SER . 25.8 pt -156.3 162.79 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.023 -178.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.7 t -78.6 171.33 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.448 178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -148.82 154.04 39.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.642 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.26 -20.11 62.27 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.793 2.328 . . . . 1.0 112.048 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -148.26 130.32 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.2 m -115.16 148.26 39.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.55 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -93.11 137.86 32.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . -178.26 -103.59 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' SER . 23.0 mt 45.03 96.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 1.0 110.522 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 124' ' ' ARG . 0.8 OUTLIER 76.49 103.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.88 10.85 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.581 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 122' ' ' SER . 72.5 mtm180 -52.45 -13.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.613 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.76 121.33 46.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.576 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.56 149.14 23.74 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.764 2.309 . . . . 1.0 112.129 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.8 tp 59.84 -102.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.28 11.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.478 ' CD ' ' NH1' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -118.54 170.27 6.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.931 0.396 . . . . 1.0 110.634 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' A' ' 132' ' ' GLN . 66.2 Cg_exo -49.76 168.49 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.926 2.418 . . . . 1.0 112.287 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.645 ' HB3' HE21 ' A' ' 132' ' ' GLN . 3.8 tp -67.46 12.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.495 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.645 HE21 ' HB3' ' A' ' 131' ' ' LEU . 33.6 mm-40 -139.1 158.1 44.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.552 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.689 ' HE ' HH11 ' A' ' 101' ' ' ARG . 9.0 mmm180 -126.0 80.21 68.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.562 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -48.79 142.04 19.86 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.943 2.429 . . . . 1.0 112.282 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.93 132.1 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.378 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.68 ' CG ' HMD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -41.89 151.86 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.742 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -47.72 -12.05 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.941 2.427 . . . . 1.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.766 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -60.47 -46.8 88.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.6 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.406 ' HE2' ' C4A' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -75.86 -24.25 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 179.642 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 45.0 t -58.67 -56.31 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.254 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -70.21 -50.13 43.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -47.75 -47.17 30.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.273 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.478 HD11 HD13 ' A' ' 103' ' ' ILE . 44.4 mt -71.91 -47.85 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.487 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -57.04 -43.17 81.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.566 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.6 p -66.88 -20.09 65.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.591 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.557 ' CE ' HH22 ' A' ' 50' ' ' ARG . 17.8 mmm -93.58 -3.24 53.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.81 21.47 68.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.19 142.64 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 1.0 110.674 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.37 -45.96 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.226 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.4 p -132.78 118.69 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.063 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.532 ' OG ' HD12 ' A' ' 103' ' ' ILE . 22.9 p -129.1 142.78 50.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.968 0.413 . . . . 1.0 110.948 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -101.7 133.15 46.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.069 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.15 127.66 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.086 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.7 t -131.86 117.57 16.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.019 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.67 152.41 33.16 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.945 2.43 . . . . 1.0 112.799 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 54.8 mt -115.45 111.96 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.155 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.0 ptm -135.17 158.53 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.0 110.682 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.639 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 83.8 t60 -132.31 127.97 36.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.435 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.631 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 4.8 m-70 59.44 -103.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -119.52 -6.61 10.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.48 -177.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.422 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 11.9 pt-20 -104.58 157.04 17.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.644 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.2 128.26 54.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.469 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.422 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 13.7 m95 -102.06 -43.72 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.71 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.55 -176.93 33.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -176.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.03 142.23 36.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.879 0.371 . . . . 1.0 110.683 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.9 tp -105.28 152.41 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.142 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 51' ' ' VAL . 15.0 p -158.53 134.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 1.0 111.046 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.3 p -117.54 141.83 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.124 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.636 ' HD2' ' HG3' ' A' ' 50' ' ' ARG . 29.0 m-70 -116.25 133.44 56.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.953 0.406 . . . . 1.0 111.052 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.714 ' ND1' ' N ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER -124.63 129.59 50.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.373 177.573 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -87.85 25.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 45.6 mt-10 -159.69 150.64 15.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.528 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.05 128.83 19.35 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.817 2.345 . . . . 1.0 112.282 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -165.74 91.96 0.86 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.374 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.07 163.63 3.13 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.901 2.401 . . . . 1.0 112.17 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -111.6 146.11 37.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.447 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 181' ' ' LEU . 89.2 p -106.16 158.57 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.642 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.75 -42.74 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.428 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 46.5 mp0 -60.42 -43.43 96.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 184' ' ' VAL . 79.0 mm-40 -83.76 -11.42 57.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.362 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 177' ' ' SER . 20.6 tp -72.56 -48.32 41.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.305 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.448 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 13.4 pt20 -69.9 -43.43 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.25 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 53.6 t -45.87 -54.54 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.107 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.652 HG13 ' N ' ' A' ' 185' ' ' GLN . 7.2 p -77.41 -52.52 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.652 ' N ' HG13 ' A' ' 184' ' ' VAL . 54.5 tp60 -51.14 -40.55 58.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.943 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 182' ' ' GLN . 28.6 tp -73.04 -45.52 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.938 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.3 -43.66 53.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 1.0 109.792 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.07 97.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.724 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.88 -36.44 76.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 1.0 109.794 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -69.32 -29.3 67.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.899 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.16 -48.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.061 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.5 m -53.71 -33.51 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.043 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 40.8 mt -68.68 -33.97 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.57 85.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.237 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.4 mt -56.42 -48.64 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.227 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.639 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -67.2 -49.86 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.26 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -60.54 -46.8 88.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.251 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.423 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.1 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.268 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -52.93 -42.41 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.474 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.79 -27.75 2.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.447 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 79.5 p -49.73 -59.91 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.904 -1.046 . . . . 1.0 110.52 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.766 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -53.94 -33.15 55.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.31 -47.85 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.619 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.06 -43.63 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 38' ' ' THR . 79.9 mt -61.83 -32.25 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' VAL . 60.0 ttp180 -75.14 -41.55 58.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.759 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.1 -29.95 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.721 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.4 t -71.0 -35.04 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.708 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -71.44 -23.44 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.71 -178.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.13 -44.2 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.72 -36.79 70.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.665 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 38' ' ' THR . 53.4 t -57.93 -53.54 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.733 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 47' ' ' GLY . 22.0 ttp-105 -52.76 -43.55 65.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.733 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.02 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.646 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.16 -38.13 89.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.591 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.69 -15.29 24.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.582 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.06 24.61 9.03 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 96.2 m -76.09 144.95 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.629 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' THR . 91.6 m-20 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.522 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.656 HH21 ' CG2' ' A' ' 148' ' ' VAL . 36.7 ptt180 -150.35 146.91 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.895 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.8 t -141.58 133.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.924 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.673 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 41.5 mttt -133.77 145.86 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 1.0 111.137 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 166' ' ' LEU . 62.1 t -98.27 138.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 1.0 109.857 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.548 ' O ' ' N ' ' A' ' 165' ' ' LEU . 17.5 t80 -121.15 119.52 32.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 1.0 111.204 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -93.32 133.87 36.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.991 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -99.64 132.16 45.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 1.0 110.928 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 61' ' ' HIS . 1.0 OUTLIER -101.18 150.9 37.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.465 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.48 -32.38 26.83 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.891 2.394 . . . . 1.0 112.127 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 98.0 mt-10 -79.05 -7.19 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.551 -177.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.68 -16.3 54.86 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.552 ' NE2' ' OD2' ' A' ' 57' ' ' ASP . 22.5 p-80 -80.1 152.77 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 1.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.33 163.82 26.0 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -136.1 159.93 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 1.0 110.601 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 t -92.42 108.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.631 178.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.4 t -105.75 -0.97 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.453 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -157.51 130.75 7.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.4 tm-20 -162.5 139.99 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.466 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.54 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.618 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.536 ' NE ' ' OE1' ' A' ' 72' ' ' GLU . 36.8 ptt180 -135.81 146.01 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.546 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.6 149.57 16.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.55 31.74 0.42 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' NE ' ' A' ' 69' ' ' ARG . 79.8 mm-40 42.45 18.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 40.0 ttm180 -58.24 -40.17 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.61 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 mt -118.19 120.1 32.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.612 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.29 167.8 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.728 2.286 . . . . 1.0 112.013 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 p -99.82 130.02 45.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.673 HD12 ' NZ ' ' A' ' 52' ' ' LYS . 18.4 mt -102.04 14.71 31.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.445 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.14 135.0 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.13 -9.17 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 77' ' ' LEU . 73.5 mt -83.98 144.98 28.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -105.83 134.65 48.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -105.53 113.9 63.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 1.0 110.456 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.03 145.16 5.44 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.649 2.233 . . . . 1.0 112.185 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.24 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.825 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.79 -20.6 8.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.72 -8.09 44.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.504 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.592 ' O ' ' O ' ' A' ' 88' ' ' PRO . 3.1 mt -134.99 101.4 11.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.631 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.592 ' O ' ' O ' ' A' ' 87' ' ' ILE . 82.4 Cg_exo -43.58 -117.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.889 2.392 . . . . 1.0 112.12 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -160.69 -41.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.535 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.66 -45.06 77.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.691 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' HD1' ' A' ' 95' ' ' PHE . . . -68.82 -36.35 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.795 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -63.87 -33.94 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.724 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -63.73 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.7 -35.77 73.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.55 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.491 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 86.8 m-85 -68.74 -34.78 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.433 ' C ' ' OE1' ' A' ' 99' ' ' GLN . 84.2 mtm-85 -88.64 -20.21 25.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.848 -178.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 123' ' ' ALA . 75.6 mt -95.46 -51.29 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.157 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.2 -12.33 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.147 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.599 ' N ' ' OE1' ' A' ' 99' ' ' GLN . 1.1 mp0 45.54 51.1 10.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.88 -178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.0 t -152.94 119.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.458 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.448 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -167.46 126.04 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.48 178.097 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.9 t -145.07 152.3 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.673 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.543 HD12 ' OG ' ' A' ' 151' ' ' SER . 63.7 mt -106.67 126.64 62.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.56 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 105' ' ' ASP . 10.2 t -84.38 171.13 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.46 -177.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.633 ' H ' HG12 ' A' ' 104' ' ' VAL . 32.5 m-20 -52.24 116.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.615 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.03 -16.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -67.36 -42.59 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.399 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.1 -1.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.512 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.7 pt20 40.16 66.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.722 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.45 124.71 35.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.245 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -111.54 141.5 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.961 0.41 . . . . 1.0 111.077 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.439 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 1.1 t -130.44 110.2 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.949 177.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.71 HG22 ' N ' ' A' ' 114' ' ' SER . 68.0 mt -112.06 170.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.71 -0.396 . . . . 1.0 111.023 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.71 ' N ' HG22 ' A' ' 113' ' ' ILE . 70.2 m -76.12 172.35 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.396 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 118' ' ' SER . 88.6 mm-40 -128.11 77.47 76.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.641 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -47.62 -23.92 4.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.799 2.333 . . . . 1.0 111.979 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.9 -31.49 71.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.548 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 115' ' ' GLN . 33.0 t -147.63 155.52 41.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.534 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -52.21 -38.5 58.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 148.25 169.57 15.36 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.09 144.2 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 1.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -101.96 134.67 44.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.651 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -80.23 4.4 17.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.607 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.95 3.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.586 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.651 ' H ' ' C ' ' A' ' 123' ' ' ALA . 15.9 m -133.0 142.67 45.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.586 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 139.29 12.23 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.738 2.292 . . . . 1.0 112.149 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 129' ' ' GLU . 7.8 tp 61.02 -117.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.554 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.81 -12.18 69.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' H ' ' HG ' ' A' ' 127' ' ' LEU . 0.4 OUTLIER -151.94 160.5 31.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 1.0 110.641 -179.061 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.623 ' C ' ' H ' ' A' ' 132' ' ' GLN . 20.2 Cg_endo -59.54 168.75 4.87 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.978 2.452 . . . . 1.0 112.206 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.3 12.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.529 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.623 ' H ' ' C ' ' A' ' 130' ' ' PRO . 42.8 mt-30 -145.31 161.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.479 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -132.32 87.08 43.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -47.54 139.82 17.22 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.925 2.417 . . . . 1.0 112.356 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 140' ' ' VAL . 2.1 m -87.37 159.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.352 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.2 OUTLIER -88.68 138.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.776 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -41.1 -32.53 1.04 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.9 2.4 . . . . 1.0 111.824 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -72.26 -34.44 68.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 178.078 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.601 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 6.8 t60 -87.2 -25.6 23.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.099 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.483 HG22 HG23 ' A' ' 135' ' ' VAL . 70.5 t -57.38 -54.74 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.222 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -46.45 -44.65 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.34 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 mt -73.88 -45.08 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.436 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -55.41 -44.32 76.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.558 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -64.22 -16.53 62.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.622 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 36.4 mmm -96.44 -1.8 46.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.87 21.94 73.05 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.656 ' CG2' HH21 ' A' ' 50' ' ' ARG . 98.6 t -103.87 138.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 1.0 110.67 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.35 -52.86 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.202 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 44.2 p -132.83 114.59 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.986 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.543 ' OG ' HD12 ' A' ' 103' ' ' ILE . 70.8 p -131.82 145.72 51.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.049 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.5 mp -101.86 132.25 47.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.059 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.87 103.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 111.037 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 166' ' ' LEU . 91.6 t -108.15 120.67 46.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.108 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.24 159.07 26.46 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.949 2.433 . . . . 1.0 112.756 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.1 mt -123.09 111.98 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.124 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.7 ptm -133.45 157.7 44.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 1.0 110.679 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.443 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 82.2 t60 -132.62 123.21 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.549 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 66.96 -111.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.497 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -114.88 -7.12 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.514 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 162' ' ' LEU . 25.5 tp10 -102.89 154.05 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -176.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.503 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 16.3 tp -105.53 127.44 53.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.447 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 74.4 m95 -100.72 -40.34 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.633 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.54 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.89 -176.38 35.72 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -176.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.9 mp -138.68 146.56 41.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.338 . . . . 1.0 110.654 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -109.59 154.53 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.16 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -160.95 138.66 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 1.0 110.991 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 10.5 m -118.44 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.184 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.522 ' O ' ' CG2' ' A' ' 48' ' ' THR . 18.9 m80 -109.35 130.74 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.025 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.476 ' CD2' HG23 ' A' ' 48' ' ' THR . 0.7 OUTLIER -125.41 128.09 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.393 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.83 39.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -163.13 154.82 15.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.582 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 174' ' ' ARG . 53.4 Cg_endo -70.41 -99.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.734 2.29 . . . . 1.0 112.264 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 173' ' ' PRO . 17.9 mtp-105 56.47 131.11 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 1.0 110.349 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.19 162.6 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.809 2.339 . . . . 1.0 112.199 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -108.74 155.26 20.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.444 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 88.6 p -112.95 152.4 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLN . . . . . 0.509 ' N ' ' OE1' ' A' ' 178' ' ' GLN . 1.1 mp0 -63.38 -37.25 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.495 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.85 -58.31 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.338 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.13 -25.1 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.447 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.39 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.337 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.51 -52.07 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.274 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.22 -49.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.067 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -50.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.114 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -51.29 -40.23 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.92 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.46 -47.54 32.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.994 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.61 -45.39 57.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.82 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.67 98.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.824 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -60.99 -37.95 84.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.741 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -68.77 -30.31 68.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 42.6 t -75.54 -49.57 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.978 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.409 ' O ' ' CG1' ' A' ' 195' ' ' ILE . 26.5 p -51.66 -27.08 10.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.0 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 45.2 mt -76.67 -34.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.13 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.97 96.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.198 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.53 ' CG2' HD21 ' A' ' 35' ' ' LEU . 14.8 pt -68.32 -27.82 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.212 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.457 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -73.06 -52.62 13.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.279 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' A' ' 198' ' ' ALA . 3.4 pp0? -69.4 -37.18 77.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.256 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 197' ' ' GLN . . . -66.35 -36.26 82.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.86 -41.58 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.413 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.27 -33.1 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.3 m -52.99 -58.43 7.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.46 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.897 -1.049 . . . . 1.0 110.515 179.587 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.681 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 49.5 t0 -48.5 -34.09 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.652 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.73 -48.0 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mm -59.45 -46.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.616 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.547 ' O ' ' OG1' ' A' ' 38' ' ' THR . 38.0 mt -57.93 -31.38 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.591 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 39' ' ' VAL . 61.2 ttm-85 -65.91 -41.63 91.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.747 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -26.58 60.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.74 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.7 p -66.07 -37.98 87.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.617 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.18 -24.74 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.777 -179.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.2 -36.77 66.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.2 -37.37 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.761 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 38' ' ' THR . 55.5 t -58.67 -57.73 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.69 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.1 ptm180 -49.56 -42.76 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -58.49 -50.41 73.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.66 -43.21 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.529 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.63 -11.91 30.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 53.74 25.42 29.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 78.7 m -73.85 137.56 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 1.0 110.584 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.1 p30 -54.1 -40.65 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.466 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.578 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 39.1 ttt180 -144.32 128.92 18.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.881 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.46 132.83 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.971 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.64 152.5 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 1.0 111.23 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.565 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.9 t -96.89 138.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.928 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 165' ' ' LEU . 19.4 t80 -118.73 117.51 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 1.0 111.194 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -92.28 130.76 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.063 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 72.1 t80 -97.48 126.71 42.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 1.0 110.89 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 6.9 m-20 -94.04 162.16 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.4 -22.94 44.77 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.88 2.387 . . . . 1.0 112.1 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.51 1.69 54.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.582 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 97.17 -17.27 59.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.3 m-70 -77.72 149.61 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 1.0 110.638 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.29 159.68 24.82 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.5 p -135.02 157.96 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 1.0 110.547 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.434 HG13 ' H ' ' A' ' 79' ' ' GLY . 2.2 p -95.23 112.56 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.649 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.6 t -108.34 0.33 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.407 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.66 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.39 129.74 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.527 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.4 tt0 -162.1 142.09 10.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.57 142.52 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.602 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' A' ' 72' ' ' GLU . 36.6 ptt-85 -125.74 142.42 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.665 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.75 122.6 7.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 58.37 36.45 83.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG2' ' HE ' ' A' ' 69' ' ' ARG . 95.6 mt-10 42.43 18.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 1.0 110.55 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' GLY . 10.8 tpp180 -56.61 -44.73 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.555 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.58 121.14 43.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.597 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.517 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 77.6 Cg_exo -49.76 166.88 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.81 2.34 . . . . 1.0 112.004 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.7 t -96.41 141.12 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.664 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' HG ' HH22 ' A' ' 50' ' ' ARG . 17.3 mt -117.91 4.72 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.436 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.07 138.04 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.52 -176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.434 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.02 -7.17 82.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.774 -0.931 . . . . 1.0 110.774 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.2 143.75 27.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 1.0 110.55 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 m -103.62 131.7 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -100.99 137.71 19.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 39.2 Cg_endo -73.36 131.14 15.96 Favored 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 122.747 2.298 . . . . 1.0 112.137 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -56.32 -32.83 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.809 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.5 -18.66 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 37.2 p-10 -63.87 -23.6 67.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 1.0 110.461 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 20.2 mt -138.33 94.2 10.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.605 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 64.2 Cg_exo -34.51 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.849 2.366 . . . . 1.0 112.075 -178.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.9 tt0 -171.4 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -56.94 -43.95 82.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.602 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB1' HH12 ' A' ' 101' ' ' ARG . . . -70.3 -38.85 75.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.769 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -63.18 -33.32 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.03 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.21 -36.37 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.513 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -68.33 -30.74 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.744 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -93.2 -21.36 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.837 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.616 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 66.3 mt -92.65 -49.82 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.136 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -10.99 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.131 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.616 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 4.1 mp0 43.19 57.36 3.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.838 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 100' ' ' VAL . 12.4 p -158.86 121.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.481 HH12 ' HB1' ' A' ' 91' ' ' ALA . 4.0 tpt180 -168.49 130.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.444 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.2 t -146.18 151.9 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.575 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.52 128.4 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 105' ' ' ASP . 11.3 t -85.44 172.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.445 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.672 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.4 t0 -52.75 116.81 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.527 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 140' ' ' VAL . 12.4 p -48.97 -14.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.5 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 105' ' ' ASP . 82.8 tt0 -67.73 -41.86 82.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.456 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -65.08 -2.24 2.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.558 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.2 pt20 39.49 68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.672 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 p -89.69 124.96 35.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.246 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -111.78 141.32 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 1.0 110.987 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.444 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.891 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.899 0.38 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 141.47 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 123.001 2.467 . . . . 1.0 112.27 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 135' ' ' VAL . 27.0 m -115.07 126.2 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.343 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -38.34 154.78 0.13 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.783 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.91 -38.12 93.57 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.003 2.469 . . . . 1.0 111.744 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.555 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -56.79 -30.55 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.591 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.421 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 1.6 t60 -86.58 -30.93 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.183 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.574 HG13 HG23 ' A' ' 106' ' ' VAL . 62.6 t -57.26 -52.2 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.258 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -60.99 -45.0 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -46.71 -43.69 18.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.336 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.57 -44.81 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.416 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -54.64 -45.01 73.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -62.78 -15.93 55.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.42 -3.03 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.11 23.08 66.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.4 t -107.79 140.16 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.631 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.45 -51.37 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.232 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.6 m -130.14 115.07 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.2 t -130.89 143.82 51.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 1.0 110.979 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.7 mp -102.77 131.74 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.043 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.0 t -111.04 104.33 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.052 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 21.0 t -107.48 122.78 40.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.005 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.11 152.93 24.59 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.929 2.42 . . . . 1.0 112.815 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.7 108.88 15.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.093 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.4 ptm -136.29 165.49 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 1.0 110.622 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.643 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 78.2 t60 -144.89 122.3 11.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.565 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 60.9 t60 76.3 -113.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.525 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -117.63 -4.26 11.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.498 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -106.8 158.66 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.588 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 27.9 tp -107.7 129.11 55.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -99.3 -42.68 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.705 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.28 -176.48 30.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.244 -0.743 . . . . 1.0 111.244 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -139.06 134.02 32.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.353 . . . . 1.0 110.721 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.565 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.7 tp -102.88 154.57 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.219 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.52 140.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 1.0 111.026 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 48.3 m -118.71 136.17 54.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.181 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.7 m-70 -109.15 126.57 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 1.0 111.044 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.437 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 74.3 m80 -122.83 123.99 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.37 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 172' ' ' GLU . . . -83.46 35.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.628 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 171' ' ' ALA . 1.3 pm0 -173.29 149.87 1.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.553 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.05 138.18 51.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.832 2.355 . . . . 1.0 112.186 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -167.46 93.28 0.68 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 158.19 8.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.845 2.363 . . . . 1.0 112.239 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -110.14 148.23 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.413 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 181' ' ' LEU . 46.3 m -107.33 154.13 21.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.628 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -53.55 -41.82 66.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.385 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -53.83 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.366 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.21 -31.54 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.383 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 177' ' ' SER . 58.3 tp -61.97 -39.5 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.234 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 186' ' ' LEU . 48.8 tt0 -65.2 -47.53 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.258 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.0 t -46.19 -54.32 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.101 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.646 HG13 ' N ' ' A' ' 185' ' ' GLN . 6.4 p -76.44 -52.56 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.189 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.646 ' N ' HG13 ' A' ' 184' ' ' VAL . 56.5 tp60 -52.3 -40.1 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 1.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.459 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 34.2 tp -74.44 -47.11 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.8 tp -49.51 -43.33 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.826 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.02 -38.67 89.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.768 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 190' ' ' GLN . 1.9 mp0 -67.51 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.888 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.61 -47.58 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.069 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.03 -33.64 57.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.982 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.73 -33.93 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.068 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.26 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.77 -34.46 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.187 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.643 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -74.98 -54.24 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.258 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.508 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 1.4 pt20 -63.53 -41.46 98.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.222 -176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.2 -33.63 75.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.303 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -53.54 -43.96 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.407 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 42.2 mt -48.61 -35.78 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.443 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -56.68 -61.41 2.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.519 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.526 179.687 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' ' 35' ' ' LEU . 6.6 tp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 1.0 110.591 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -52.32 -32.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.673 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -50.44 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.692 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 38' ' ' THR . 96.7 mt -57.3 -47.68 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.643 ' CD1' HH21 ' A' ' 55' ' ' ARG . 41.5 mt -56.44 -32.11 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.593 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.549 ' O ' HG12 ' A' ' 39' ' ' VAL . 35.5 ttp180 -62.54 -41.93 99.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.789 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.09 -26.74 59.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.787 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 34' ' ' ILE . 75.0 p -67.75 -37.64 82.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.704 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.666 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -68.24 -26.26 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.702 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.17 -36.25 40.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.31 -53.24 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.691 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 43' ' ' ARG . 21.7 m -52.45 -46.04 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.813 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.778 ' O ' ' N ' ' A' ' 47' ' ' GLY . 45.0 ttp180 -47.76 -46.01 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -47.11 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -63.49 -41.6 98.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' A' ' 48' ' ' THR . 4.3 mt -95.94 -11.69 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.516 -178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.778 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.62 28.19 3.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 46' ' ' LEU . 2.8 p -76.27 142.3 41.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 1.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -53.03 -41.51 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.506 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 47.2 ttt85 -143.56 135.31 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.897 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 p -147.49 132.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.006 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HZ3' ' CE1' ' A' ' 169' ' ' HIS . 10.4 pttm -136.61 151.37 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 1.0 111.225 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.5 t -98.9 139.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.851 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 165' ' ' LEU . 16.8 t80 -122.34 121.0 35.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.871 0.367 . . . . 1.0 111.265 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.643 HH21 ' CD1' ' A' ' 35' ' ' LEU . 38.3 ttm180 -100.27 140.06 35.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.94 139.05 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 1.0 110.857 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.0 m-20 -100.36 152.39 37.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.478 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -41.1 -45.99 5.27 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.831 2.354 . . . . 1.0 112.114 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.5 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.628 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 106.04 -7.23 40.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 70.2 m80 -76.87 148.74 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 1.0 110.599 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.93 160.52 24.62 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.8 p -137.06 160.54 38.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -91.87 108.61 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -107.03 -3.9 10.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.42 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.666 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.67 127.6 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.533 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.453 ' N ' HD21 ' A' ' 78' ' ' LEU . 13.9 tm-20 -162.06 141.33 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.412 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.19 138.21 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.647 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' OG ' ' A' ' 76' ' ' SER . 5.3 ptp180 -114.15 139.02 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.93 118.72 6.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 57.09 41.79 92.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 42.0 mp0 40.18 22.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 1.0 110.561 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 55.3 ttm-85 -60.09 -42.41 94.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.542 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HB2' HH11 ' A' ' 50' ' ' ARG . 77.7 mt -116.5 145.97 36.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.518 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.534 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 46.7 Cg_endo -68.96 167.88 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.754 2.303 . . . . 1.0 112.125 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.533 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 70.8 m -97.21 127.7 43.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.726 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' A' ' 80' ' ' LEU . 22.6 mt -97.38 12.81 31.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.46 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 67' ' ' GLU . 91.4 mt -60.4 132.85 55.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.17 -12.35 62.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 77' ' ' LEU . 65.0 mt -81.4 143.95 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.311 . . . . 1.0 110.601 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 m -104.98 131.71 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.29 140.08 20.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.445 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.429 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.8 Cg_endo -71.88 137.6 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.141 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -66.24 -33.31 75.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.76 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.6 -15.96 0.55 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 84' ' ' ALA . 49.1 p-10 -67.9 -21.54 65.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.417 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 63.4 mt -133.14 92.37 25.43 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 67.5 Cg_exo -35.44 -96.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.912 2.408 . . . . 1.0 112.035 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.512 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 83.8 tt0 -167.91 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -53.37 -44.76 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.666 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.11 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.766 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -68.4 -32.73 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.512 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 93.2 mtt-85 -63.24 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.586 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.486 HD12 HH21 ' A' ' 133' ' ' ARG . 7.9 mt -61.64 -34.28 75.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.626 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CE2' ' HG2' ' A' ' 101' ' ' ARG . 4.5 m-85 -64.96 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.694 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.441 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 51.6 ttp85 -91.78 -20.12 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.78 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' C ' HE22 ' A' ' 99' ' ' GLN . 33.2 mt -90.87 -52.52 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.182 -175.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.531 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -109.18 -12.01 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.133 -173.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.789 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 42.39 56.12 3.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.878 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 99' ' ' GLN . 5.8 m -156.54 109.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.448 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.617 HH21 ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -154.88 122.97 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -178.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.76 151.12 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.573 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.05 127.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.585 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.705 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.2 p -85.59 173.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.384 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.705 ' H ' HG22 ' A' ' 104' ' ' VAL . 67.6 t0 -50.06 117.85 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.79 -18.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.591 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -72.43 -38.06 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.437 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.75 -13.54 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.576 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 54.48 66.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.718 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -97.84 123.51 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.137 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -112.21 142.52 44.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.966 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 134' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.935 177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.486 HH21 HD12 ' A' ' 94' ' ' LEU . 38.3 ttt-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.884 0.373 . . . . 1.0 110.615 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.446 ' O ' ' OG ' ' A' ' 112' ' ' SER . 73.5 Cg_exo -49.46 141.29 25.93 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.942 2.428 . . . . 1.0 112.28 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.65 131.52 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.337 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 138' ' ' CYS . 0.8 OUTLIER -42.0 145.35 0.75 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.725 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.27 -12.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.015 2.477 . . . . 1.0 111.75 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -63.15 -40.34 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.621 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -23.79 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.152 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.8 -64.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.214 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.24 -47.19 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.387 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -47.05 -46.16 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.325 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.75 -47.09 49.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.377 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.558 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.4 p -64.9 -16.92 63.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.558 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 20.6 mmm -98.29 -3.74 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.54 21.51 66.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.84 141.33 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 1.0 110.622 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.98 -49.05 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.186 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.5 t -130.2 118.77 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.032 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.4 p -132.72 144.21 50.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.374 . . . . 1.0 110.975 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.5 tt -103.76 131.91 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.081 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.603 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 2.8 t -112.72 132.25 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.057 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 166' ' ' LEU . 4.9 t -134.48 124.02 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.061 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.503 ' HD3' ' NE ' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -78.08 149.8 25.76 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.935 2.423 . . . . 1.0 112.762 -175.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.1 mt -112.52 108.11 17.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.162 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.463 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 15.9 ptm -135.3 156.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 1.0 110.677 -174.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.544 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 27.6 t60 -127.43 122.63 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.504 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 68.8 t60 63.12 -104.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -116.59 -4.74 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.46 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -102.58 149.42 24.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.669 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -103.18 126.77 50.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.372 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -101.7 -43.68 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.686 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.99 -176.69 32.34 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.156 -0.778 . . . . 1.0 111.156 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.3 mp -138.28 136.3 36.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.362 . . . . 1.0 110.67 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.598 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.9 tp -102.58 151.78 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.463 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.6 p -157.58 137.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 1.0 111.069 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.51 131.98 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.106 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 169' ' ' HIS . 6.8 m-70 -104.5 131.33 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 1.0 111.048 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -125.73 127.69 46.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.339 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -86.51 35.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.683 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 67.0 mt-10 -158.56 147.82 14.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.488 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.45 136.38 19.44 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.792 2.328 . . . . 1.0 112.251 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -172.71 130.92 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.416 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.0 166.03 27.38 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 1.0 112.276 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -113.57 148.34 36.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.47 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 93.8 p -113.01 153.57 27.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.628 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.37 -37.84 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.421 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -69.6 -54.99 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.386 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -35.79 82.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.414 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.63 -38.65 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.312 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 186' ' ' LEU . 49.4 tt0 -60.16 -48.12 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.226 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.5 t -45.05 -52.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.038 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.26 -52.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.16 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -51.97 -34.82 44.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.931 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' GLN . 59.1 tp -75.74 -52.42 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.991 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 mt -50.39 -44.91 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.801 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.53 93.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.816 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -61.77 -37.72 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.739 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -68.21 -31.0 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.875 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.1 -48.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.025 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -34.16 61.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 1.0 109.95 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.93 -32.82 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.114 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.63 84.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.55 -33.56 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.229 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.544 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -75.23 -54.26 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.253 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.4 pt20 -63.84 -40.62 97.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.24 -176.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.53 -33.33 74.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.352 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.45 -44.63 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.429 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 200' ' ' LEU . 42.3 mt -49.64 -34.64 18.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 12.7 m -53.82 -59.8 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.549 179.592 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.25 -32.3 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.44 -49.3 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.657 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 38' ' ' THR . 96.5 mt -57.77 -50.26 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.66 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' ' OG1' ' A' ' 38' ' ' THR . 55.3 mt -56.92 -31.47 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.677 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.668 ' O ' HG12 ' A' ' 39' ' ' VAL . 23.8 ttm180 -64.07 -40.23 95.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.772 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.16 59.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.565 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 60.5 p -66.33 -36.71 83.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.652 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.764 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 2.3 p -67.92 -27.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.749 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.13 -39.67 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.46 -54.85 14.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.675 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 43' ' ' ARG . 26.9 m -51.89 -46.21 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.4 ttm180 -45.84 -45.0 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.674 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.82 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.577 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -60.66 -44.24 96.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.4 -9.92 34.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.469 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.01 26.92 0.94 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 36.9 m -75.1 142.45 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.807 0.336 . . . . 1.0 110.574 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -50.94 -43.27 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.453 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.536 HH21 HD13 ' A' ' 74' ' ' LEU . 14.7 mtt85 -144.08 135.69 25.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.952 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.56 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 9.1 p -143.74 133.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.897 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -135.29 149.64 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.001 0.429 . . . . 1.0 111.147 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.8 t -101.01 137.33 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.904 176.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 23.3 t80 -116.73 116.39 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 1.0 111.239 -177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -94.58 136.18 35.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.048 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.54 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 1.0 110.926 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.9 m-20 -100.88 151.7 37.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.479 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.18 -45.52 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.827 2.351 . . . . 1.0 112.063 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.79 -8.15 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.589 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.89 -9.27 51.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.8 m80 -75.39 147.98 39.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 1.0 110.594 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.18 159.8 24.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 p -136.87 160.58 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.8 t -88.32 105.81 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -104.07 -5.94 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.447 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.44 122.53 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.536 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 65.1 tt0 -152.09 138.38 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.517 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HB1' ' NH2' ' A' ' 43' ' ' ARG . . . -132.97 133.73 43.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.631 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.523 HH21 ' CB ' ' A' ' 76' ' ' SER . 7.5 ptp85 -107.59 135.68 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.664 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.4 5.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 48.98 42.38 30.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 40.65 22.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 1.0 110.58 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 77.9 ttt180 -54.9 -46.28 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.615 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.536 HD13 HH21 ' A' ' 50' ' ' ARG . 5.5 mp -114.54 162.97 20.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.61 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.35 167.66 24.56 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.736 2.29 . . . . 1.0 111.995 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.523 ' CB ' HH21 ' A' ' 69' ' ' ARG . 25.5 t -97.92 122.23 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.612 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.608 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 27.9 mt -96.13 12.11 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.409 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.13 136.92 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.492 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.5 76.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 77' ' ' LEU . 84.5 mt -85.86 146.95 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 1.0 110.495 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -106.94 136.48 46.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.437 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -103.53 140.95 21.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.492 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -70.77 137.05 31.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.746 2.297 . . . . 1.0 112.168 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.18 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.11 -16.67 1.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -67.83 -27.65 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 1.0 110.543 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.637 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.2 mm -106.74 105.3 54.58 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.521 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.637 ' O ' ' O ' ' A' ' 87' ' ' ILE . 84.6 Cg_exo -47.12 -131.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.961 2.441 . . . . 1.0 112.048 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -145.55 -53.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -53.32 -42.92 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.636 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.92 73.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.774 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -61.89 -36.96 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.7 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -62.58 -35.62 80.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.73 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 89.8 m-85 -68.76 -32.57 72.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.7 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.588 ' C ' HE22 ' A' ' 99' ' ' GLN . 34.0 ttm180 -86.43 -20.36 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.785 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.704 ' N ' HE22 ' A' ' 99' ' ' GLN . 6.3 mt -101.9 -50.75 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.15 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 100' ' ' VAL . . . -103.97 -16.45 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.16 -173.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.866 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 44.13 52.69 6.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.82 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 99' ' ' GLN . 13.1 m -160.01 128.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.371 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.44 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -172.44 129.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.483 177.467 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.67 153.02 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.646 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.71 127.79 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.655 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 105' ' ' ASP . 6.5 t -84.34 172.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.49 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.655 ' H ' HG12 ' A' ' 104' ' ' VAL . 59.7 m-20 -50.4 115.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.502 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.455 HG13 ' CG1' ' A' ' 140' ' ' VAL . 38.7 t -50.45 -15.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.9 tt0 -74.2 -36.93 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.8 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 54.05 66.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.292 176.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -111.87 140.57 46.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 1.0 111.016 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.471 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.813 178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.922 0.391 . . . . 1.0 110.573 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.16 142.07 18.98 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.927 2.418 . . . . 1.0 112.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 135' ' ' VAL . 33.6 m -114.96 127.49 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.376 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.471 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -36.91 140.39 0.44 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.784 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.22 -40.99 16.82 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.967 2.445 . . . . 1.0 111.788 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -53.34 -29.86 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.56 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -88.18 -28.9 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.14 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 106' ' ' VAL . 90.1 t -59.92 -49.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.235 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.91 -45.89 80.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.389 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -45.89 -41.57 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.269 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.23 -42.21 55.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.428 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -56.95 -45.23 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 t -63.13 -15.77 57.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.564 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 50.9 mmm -98.0 -1.22 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.9 20.9 72.52 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.7 t -107.1 140.96 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 1.0 110.696 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.85 -50.42 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.163 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.2 p -132.45 115.21 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.054 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.5 p -131.99 145.33 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.02 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.9 mp -101.67 130.57 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.074 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.9 t -112.72 106.67 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 1.0 111.018 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 t -109.67 122.34 39.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.023 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.77 153.26 33.44 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.911 2.407 . . . . 1.0 112.765 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 55.8 mt -115.72 110.26 18.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.103 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.441 ' HB3' HD12 ' A' ' 162' ' ' LEU . 0.5 OUTLIER -134.55 156.05 49.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 1.0 110.698 -175.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.63 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 43.0 t60 -123.35 122.21 37.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.493 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.629 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 7.1 m-70 59.87 -99.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -119.12 -6.69 10.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -100.3 149.61 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.726 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 157' ' ' MET . 21.5 tp -102.1 125.76 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.47 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -101.56 -44.73 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.648 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.31 -177.87 33.8 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.266 -0.734 . . . . 1.0 111.266 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 54' ' ' TYR . 32.6 mt -134.79 137.42 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 1.0 110.709 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.493 ' CD1' HG22 ' A' ' 53' ' ' VAL . 9.8 tp -103.46 150.07 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.187 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 12.3 p -160.14 138.77 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 1.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.42 ' OG ' ' CB ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -115.56 138.61 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.151 177.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 48' ' ' THR . 10.4 m-70 -104.73 121.91 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.029 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.54 115.21 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.383 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -87.11 21.08 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -150.66 113.06 3.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.532 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.71 114.27 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.835 2.357 . . . . 1.0 112.262 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -151.92 102.03 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.17 156.76 7.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.859 2.373 . . . . 1.0 112.224 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -106.85 149.62 27.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.456 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -86.18 151.76 23.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -75.63 -49.07 19.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.358 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 184' ' ' VAL . 78.6 mm-40 -67.17 -29.44 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.386 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.0 -43.0 81.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.343 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -75.39 -49.8 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.238 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 77.1 t -44.9 -49.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.047 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.68 HG23 ' N ' ' A' ' 185' ' ' GLN . 20.7 m -74.42 -51.32 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.168 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.68 ' N ' HG23 ' A' ' 184' ' ' VAL . 63.8 tt0 -48.04 -33.9 8.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 1.0 109.99 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.4 -42.83 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.966 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.68 -44.15 57.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.821 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.837 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -59.24 -36.97 76.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 109.756 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 1.4 tm0? -68.97 -30.77 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.807 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.2 t -75.82 -48.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.087 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -31.2 39.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.952 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -69.2 -34.85 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.125 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.87 88.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.265 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.245 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.63 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -65.03 -48.02 75.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.332 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.8 -47.58 85.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.194 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.63 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.307 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -55.22 -45.83 75.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.425 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.8 tp -49.03 -37.95 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 9.8 m -51.67 -59.9 3.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.553 179.639 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 tp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.851 0.357 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -52.01 -31.79 31.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.619 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.82 -48.59 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.721 ' O ' HG23 ' A' ' 38' ' ' THR . 21.5 mm -56.7 -51.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.685 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' ' 38' ' ' THR . 91.3 mt -56.4 -33.97 66.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.537 ' O ' HG12 ' A' ' 39' ' ' VAL . 55.0 ttp180 -64.02 -43.27 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.788 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.64 -26.82 60.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.781 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.0 p -68.19 -36.98 80.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.646 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.615 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.13 -24.13 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.719 -178.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.714 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.71 -32.94 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.722 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' THR . 52.7 t -63.04 -57.78 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.754 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 ptm180 -47.2 -42.01 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.735 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.43 -47.61 81.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.624 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.28 -42.54 99.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.554 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mt -93.91 -14.56 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.555 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 50.95 25.7 10.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -76.25 142.59 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 1.0 110.607 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -48.58 -44.12 36.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.502 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.461 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 54.2 ttt85 -145.66 133.67 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.876 -176.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.16 132.03 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.94 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -137.09 153.16 50.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 1.0 111.22 -176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.704 HG22 ' CD1' ' A' ' 166' ' ' LEU . 46.0 t -97.34 139.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.863 176.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 165' ' ' LEU . 4.9 t80 -123.14 122.0 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 1.0 111.22 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.38 133.46 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.008 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' A' ' 57' ' ' ASP . 57.9 t80 -96.77 125.81 41.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 1.0 110.871 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 2.7 m-20 -90.44 151.88 44.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.461 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.94 -19.52 62.98 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.846 2.364 . . . . 1.0 112.061 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -90.76 -2.86 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -17.29 56.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 65.6 m80 -74.99 144.35 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 1.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.454 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -130.23 151.75 19.53 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -132.24 155.6 48.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.339 . . . . 1.0 110.517 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.5 t -94.97 111.8 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.668 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.24 -1.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.414 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.615 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.69 129.65 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.678 ' OE1' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -161.79 141.6 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.398 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.68 144.36 47.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.66 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.509 HH21 ' CB ' ' A' ' 76' ' ' SER . 3.5 ptp85 -125.64 141.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.478 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.53 119.0 6.36 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 61.38 39.57 97.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 40.48 21.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 1.0 110.596 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.8 ttm180 -59.84 -44.7 93.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -111.2 146.61 34.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.518 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.72 165.68 31.66 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.846 2.364 . . . . 1.0 112.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.509 ' CB ' HH21 ' A' ' 69' ' ' ARG . 45.5 p -96.11 135.48 37.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.709 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 16.1 mt -106.55 8.02 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.408 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.678 HD13 ' OE1' ' A' ' 67' ' ' GLU . 9.6 tp -52.75 129.41 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -13.58 64.59 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 77' ' ' LEU . 44.9 mt -80.73 141.16 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 1.0 110.565 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -113.22 152.62 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.508 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 18.2 m-85 -113.85 143.45 29.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.463 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.439 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.5 Cg_endo -71.82 146.4 47.95 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.755 2.303 . . . . 1.0 112.052 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -73.3 -38.95 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.801 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -18.05 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG23 ' A' ' 87' ' ' ILE . 33.1 p-10 -63.22 -35.96 82.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 1.0 110.505 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 86' ' ' ASP . 4.5 pt -157.13 139.88 10.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.552 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 90' ' ' GLU . 71.7 Cg_endo -79.05 150.59 23.28 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.905 2.404 . . . . 1.0 112.137 174.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' HA ' HH11 ' A' ' 92' ' ' ARG . 95.9 mt-10 -48.91 -16.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 88' ' ' PRO . 86.4 tt0 -47.08 -50.99 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.588 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -66.19 -28.04 68.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.795 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.438 HH11 ' HA ' ' A' ' 89' ' ' GLU . 79.8 mtt85 -72.93 -28.64 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.404 HH21 ' HG3' ' A' ' 90' ' ' GLU . 63.1 mtm180 -67.94 -49.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.573 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 7.1 mt -55.12 -38.87 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.571 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.499 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 6.9 m-85 -69.28 -22.82 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.71 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.525 ' C ' HE21 ' A' ' 99' ' ' GLN . 56.9 ttp180 -93.91 -22.4 18.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.83 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 18.0 mt -89.04 -46.8 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.174 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.28 -15.79 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.221 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.632 ' O ' HG13 ' A' ' 100' ' ' VAL . 9.5 mp0 44.26 56.45 4.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.864 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.8 m -160.06 123.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.347 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -177.68 130.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.507 177.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.505 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 4.0 m -144.13 155.98 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.579 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 143' ' ' LEU . 41.6 mt -105.86 129.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 105' ' ' ASP . 7.9 t -85.04 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.4 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.694 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.8 t0 -51.02 117.03 2.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -51.03 -16.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.2 tt0 -71.87 -37.64 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.396 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.22 -13.7 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 52.93 69.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.741 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.7 m -91.09 120.54 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.269 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -109.32 138.2 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 1.0 110.952 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.6 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.828 -0.623 . . . . 1.0 109.862 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.912 0.386 . . . . 1.0 110.638 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.53 142.75 26.67 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.908 2.406 . . . . 1.0 112.329 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 135' ' ' VAL . 21.9 m -116.98 130.11 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.41 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 112' ' ' SER . 11.2 t70 -41.71 138.32 1.74 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.695 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -41.54 -18.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.942 2.428 . . . . 1.0 111.769 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.6 OUTLIER -63.41 -40.15 96.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.561 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.68 -30.07 25.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.119 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.41 -60.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 145' ' ' SER . 30.5 t-80 -61.57 -43.65 98.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.358 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -45.94 -41.07 11.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.276 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 103' ' ' ILE . 15.3 mt -74.54 -43.96 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.434 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 37.4 m -63.43 -17.47 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.547 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 24.5 mmm -95.56 -0.04 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.83 21.86 73.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.1 t -109.43 142.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 1.0 110.678 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.07 -42.33 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.207 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.2 p -137.97 122.01 17.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.096 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -130.88 141.37 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 1.0 110.973 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 152' ' ' LEU . 7.8 mp -104.13 135.29 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.044 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.87 125.31 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 1.0 110.998 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.94 114.48 16.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.977 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 165' ' ' LEU . 74.4 Cg_endo -75.02 153.61 41.8 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.007 2.471 . . . . 1.0 112.755 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 48.3 mt -116.59 110.71 18.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.09 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.6 ptm -137.42 162.74 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 1.0 110.712 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 49.0 t-80 -145.86 122.58 11.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.466 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 59.2 t60 77.18 -115.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.516 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -117.72 -4.1 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.447 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.456 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 15.6 pt-20 -106.03 157.53 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.63 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.02 129.79 55.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.457 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.456 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 16.6 m95 -101.4 -42.25 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.734 -177.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.48 -176.66 35.66 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.4 mp -139.76 142.82 36.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.704 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.4 tp -105.94 155.39 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.124 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.88 137.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 1.0 111.027 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 p -117.42 134.47 54.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.136 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -117.05 136.42 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.964 0.412 . . . . 1.0 111.101 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -135.1 150.26 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.363 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.41 -21.81 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.662 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -113.02 157.5 40.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 174' ' ' ARG . 10.0 Cg_endo -50.15 -71.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.89 2.393 . . . . 1.0 112.222 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 173' ' ' PRO . 44.6 ttt85 50.66 103.1 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 1.0 110.431 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.51 165.95 20.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.829 2.353 . . . . 1.0 112.189 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -107.25 140.04 40.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.461 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 21.9 t -88.59 152.98 21.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.671 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -55.19 -35.5 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.445 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 183' ' ' VAL . 47.1 mp0 -75.35 -47.49 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.444 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 181' ' ' LEU . 1.4 tt -55.5 -56.88 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.289 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -63.89 -48.6 76.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.187 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 179' ' ' GLU . 53.7 t -45.51 -51.27 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.126 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 68.2 t -74.77 -53.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.16 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -48.38 -36.44 14.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 41.3 tp -73.54 -43.38 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.994 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.11 -45.71 64.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.788 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.13 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.767 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.69 -35.54 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.78 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.5 -28.63 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.855 -0.612 . . . . 1.0 109.825 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.87 -49.72 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.127 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.3 p -53.69 -32.54 52.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.019 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 35.1 mt -68.05 -33.04 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.106 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.262 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.4 mt -55.65 -53.23 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.218 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.502 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -63.66 -47.44 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.292 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.84 -46.22 91.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.263 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.42 73.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.271 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -52.73 -41.94 64.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.465 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.56 -35.66 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 25.4 t -54.51 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.852 0.358 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 67.4 t0 -48.88 -32.83 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.42 -48.33 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.643 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mm -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' ' OG1' ' A' ' 38' ' ' THR . 28.6 mt -58.66 -32.05 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.614 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 39' ' ' VAL . 60.9 ttp180 -64.87 -39.83 94.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.744 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.36 -26.55 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.709 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 42' ' ' VAL . 43.6 p -66.6 -38.08 86.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.654 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.632 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -71.91 -24.4 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.753 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.18 -41.51 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.46 -33.51 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.768 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 38' ' ' THR . 34.7 t -64.16 -59.22 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.749 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.691 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ptm180 -47.59 -41.71 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -55.42 -45.03 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.688 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.614 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 184' ' ' VAL . 10.7 mt -94.03 -11.62 30.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.509 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.691 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.91 27.3 20.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.1 142.31 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 1.0 110.618 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 46.0 p-10 -61.88 -31.62 71.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 14.5 ttt180 -144.16 123.5 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.93 -176.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 t -141.67 130.09 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.914 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.583 ' HZ2' ' HB2' ' A' ' 77' ' ' LEU . 43.4 mttt -134.47 151.07 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 1.0 111.211 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 166' ' ' LEU . 59.1 t -98.96 137.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.882 175.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 165' ' ' LEU . 20.9 t80 -118.17 117.17 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.427 . . . . 1.0 111.204 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -97.34 137.79 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.973 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' NH2' ' A' ' 92' ' ' ARG . 0.3 OUTLIER -100.52 137.92 38.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 1.0 110.938 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.5 m-20 -101.04 151.79 37.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.494 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -41.6 -45.84 6.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.781 2.321 . . . . 1.0 112.105 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.8 -8.42 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -9.25 50.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' ASP . 74.2 m80 -75.7 149.19 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 1.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.424 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.99 159.37 23.94 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -135.96 159.74 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 1.0 110.581 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.1 t -88.68 106.11 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -104.01 -5.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.4 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.632 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.01 124.18 6.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -156.36 139.63 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.487 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.48 142.51 45.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.656 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -125.33 142.95 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.642 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.32 140.01 14.67 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.19 36.43 1.31 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 48.6 mp0 41.34 20.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.667 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 71' ' ' GLY . 19.6 tpt180 -57.25 -43.92 83.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.581 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.58 148.13 37.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.53 160.32 50.21 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.786 2.324 . . . . 1.0 112.084 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -95.08 117.28 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 37.8 mt -95.88 14.35 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.413 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.73 136.5 57.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.0 -7.51 80.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 77' ' ' LEU . 77.8 mt -87.02 146.95 25.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 1.0 110.62 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 t -107.11 137.83 44.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.381 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -105.38 140.46 21.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -71.68 143.19 41.39 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.786 2.324 . . . . 1.0 112.137 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.45 89.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.824 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.9 -19.01 3.15 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.54 -25.89 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 39.7 mt -116.62 94.82 44.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.574 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 98.5 Cg_exo -41.41 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.836 2.357 . . . . 1.0 112.125 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 44.1 tp10 -161.27 -50.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -49.57 -44.36 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.633 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.45 76.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.591 ' NH2' ' CD2' ' A' ' 56' ' ' PHE . 76.5 ttt180 -65.43 -33.18 75.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.63 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -63.72 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.611 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 10.0 mt -59.14 -36.39 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 68.3 m-85 -67.83 -30.64 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.718 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -93.34 -22.19 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.831 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.581 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 34.9 mt -91.46 -49.64 6.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.196 -175.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -12.98 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.209 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.627 ' O ' HG13 ' A' ' 100' ' ' VAL . 6.2 mp0 44.84 56.94 4.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.831 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.7 m -160.31 122.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.397 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -172.6 133.36 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.522 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.2 p -144.77 155.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.6 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.431 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 53.0 mt -109.31 129.25 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.628 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.722 HG22 ' H ' ' A' ' 105' ' ' ASP . 5.4 p -86.33 174.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.408 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.722 ' H ' HG22 ' A' ' 104' ' ' VAL . 66.1 t0 -51.57 116.32 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 106' ' ' VAL . 37.5 t -50.71 -13.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 105' ' ' ASP . 42.3 tp10 -76.94 -35.23 57.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.446 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.29 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 53.81 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.76 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -95.44 123.39 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.257 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -112.12 141.18 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.99 0.424 . . . . 1.0 110.957 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.876 177.625 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.945 0.402 . . . . 1.0 110.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 138.74 17.56 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.961 2.44 . . . . 1.0 112.256 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' ASP . 14.9 m -121.37 133.18 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.35 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.4 OUTLIER -38.83 140.57 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.712 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.05 -33.63 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.997 2.465 . . . . 1.0 111.71 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.443 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -59.94 -32.0 70.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.546 -178.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.443 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 2.4 t60 -86.87 -32.02 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.178 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.18 -53.35 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.45 -44.23 96.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -45.5 -42.99 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.335 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.57 -42.72 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.508 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -55.53 -44.65 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.577 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.6 m -63.78 -17.29 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.2 mmm -95.21 -3.21 48.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.7 21.09 69.7 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.14 139.24 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 1.0 110.686 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.08 -53.77 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.252 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.7 p -129.59 114.56 16.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.6 p -130.84 144.34 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 1.0 110.992 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.73 133.95 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.05 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.25 128.85 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.082 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 37.0 t -133.2 123.86 18.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 1.0 109.987 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.98 150.74 18.23 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.916 2.41 . . . . 1.0 112.773 -175.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.9 mt -115.22 108.19 16.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.161 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.8 ptm -137.02 154.67 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 1.0 110.695 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.58 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 67.9 t60 -135.79 123.03 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.448 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.5 t60 78.34 -116.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.59 -3.75 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.449 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -106.38 158.81 16.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.627 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 28.9 tp -106.53 128.56 54.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.475 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -99.11 -41.59 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.7 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.59 -176.8 32.06 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -137.28 134.16 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.812 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -104.21 152.6 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.131 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -161.52 139.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 1.0 111.043 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.6 p -118.49 133.78 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.171 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.459 ' ND1' ' NE ' ' A' ' 50' ' ' ARG . 25.9 m80 -109.74 134.31 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 1.0 111.047 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.45 130.08 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.372 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.26 35.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.626 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -157.67 149.59 17.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.538 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 174' ' ' ARG . 37.9 Cg_endo -67.31 -4.45 11.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.794 2.329 . . . . 1.0 112.187 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 173' ' ' PRO . 50.8 ttt85 -34.82 99.66 0.17 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.367 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 173' ' ' PRO . 50.7 Cg_exo -54.79 163.17 4.22 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.801 2.334 . . . . 1.0 112.228 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.92 146.27 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.389 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.5 m -87.73 151.15 23.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.53 -25.12 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.48 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 183' ' ' VAL . 96.2 mt-10 -70.41 -56.26 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.409 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 184' ' ' VAL . 96.7 mt-10 -67.28 -26.73 66.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 56.8 tp -54.26 -51.65 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.309 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.33 -54.78 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.258 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 179' ' ' GLU . 65.4 t -43.8 -41.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.1 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 180' ' ' GLU . 97.4 t -75.63 -50.17 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.15 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -48.99 -36.89 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.894 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.9 -44.3 61.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.982 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 191' ' ' VAL . 61.0 tp -50.22 -45.09 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.809 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.33 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.731 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -61.46 -37.98 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.789 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -68.07 -31.08 70.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.842 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 187' ' ' LEU . 67.4 t -75.72 -49.16 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.04 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 22.4 p -52.83 -30.58 34.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.989 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.5 mt -68.53 -35.57 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.133 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.39 87.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.298 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.6 mt -54.77 -54.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.225 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.58 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.46 -48.4 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.247 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.86 -47.54 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.254 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.02 -34.52 78.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.337 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.29 -40.04 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.22 -31.13 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.385 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -53.86 -59.9 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.487 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.519 179.704 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -53.02 -32.12 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -77.99 -47.37 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.643 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 38' ' ' THR . 20.9 mm -57.65 -51.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.602 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' ' 38' ' ' THR . 85.4 mt -57.58 -37.35 73.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' HG12 ' A' ' 39' ' ' VAL . 74.7 mtt-85 -63.26 -42.89 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.793 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.59 -26.45 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.735 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 34' ' ' ILE . 79.2 p -70.44 -37.69 74.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.709 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.709 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -72.18 -24.36 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.705 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.61 -45.51 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.44 -37.38 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 38' ' ' THR . 55.2 t -57.48 -53.66 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.722 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 47' ' ' GLY . 67.1 ttp85 -51.82 -44.46 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.682 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.19 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.646 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.33 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.3 -14.22 25.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.476 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.739 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.64 25.0 4.41 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -178.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 5.4 t -75.95 145.19 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 1.0 110.606 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 92.8 m-20 -39.95 -51.34 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.619 HH21 ' CG2' ' A' ' 148' ' ' VAL . 27.6 ptt180 -152.51 147.95 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.894 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 p -145.75 135.58 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.928 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HZ1' ' NH1' ' A' ' 50' ' ' ARG . 28.6 mttp -134.9 149.56 50.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 1.0 111.19 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.72 HG22 ' CD1' ' A' ' 166' ' ' LEU . 46.5 t -99.34 138.24 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.881 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.8 t80 -117.18 114.49 23.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.009 0.433 . . . . 1.0 111.179 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -93.75 136.16 34.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.997 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -100.87 139.35 36.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.888 0.375 . . . . 1.0 110.885 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.4 m-20 -101.74 151.05 37.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.473 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -41.72 -45.43 6.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 1.0 112.062 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.51 -7.7 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.04 55.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.2 m80 -74.2 147.3 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 1.0 110.606 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.68 159.91 24.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 p -137.07 161.04 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 1.0 110.566 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -90.37 107.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.654 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.06 -3.41 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.431 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.709 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.99 127.1 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -161.87 141.66 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.499 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.38 136.69 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.625 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -111.47 139.56 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.591 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.83 130.3 10.24 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.36 41.47 5.18 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 40.76 18.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 1.0 110.557 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 71' ' ' GLY . 96.5 mtt180 -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.528 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 73' ' ' ARG . 8.5 mp -117.45 153.94 50.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.582 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.53 168.15 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.765 2.31 . . . . 1.0 112.087 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -98.35 146.42 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 80' ' ' LEU . 22.6 mt -114.8 15.45 17.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.85 133.67 53.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.517 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.85 71.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 77' ' ' LEU . 74.8 mt -82.82 143.03 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 1.0 110.504 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 81' ' ' THR . 14.1 t -103.89 132.31 50.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.463 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.9 112.47 63.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.444 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -45.39 147.41 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.753 2.302 . . . . 1.0 112.108 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.65 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.76 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.56 -20.5 7.65 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.82 -6.18 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 110.509 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.88 131.97 20.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.614 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.07 -113.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.896 2.397 . . . . 1.0 112.09 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -164.85 -49.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.574 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -49.22 -45.83 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.67 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.23 75.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.454 ' NH1' ' CE2' ' A' ' 56' ' ' PHE . 31.5 ttp180 -64.32 -32.57 74.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.7 mtm180 -63.92 -39.05 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.573 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.437 ' HB3' HH11 ' A' ' 101' ' ' ARG . 13.8 mt -58.06 -36.76 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.557 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 75.1 m-85 -68.01 -29.98 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.702 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -93.32 -22.25 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.809 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.558 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 41.2 mt -90.74 -50.03 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.2 -175.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.8 -8.94 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.158 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.558 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 7.9 mp0 41.81 57.26 3.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.874 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.1 p -160.97 120.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -165.72 132.1 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.481 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.77 152.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.2 126.89 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.624 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.4 p -84.84 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.459 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.679 ' H ' HG22 ' A' ' 104' ' ' VAL . 40.9 m-20 -52.26 115.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.554 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -49.74 -14.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.3 tt0 -73.44 -36.41 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.411 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.17 -15.09 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.517 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 53.61 67.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.713 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.0 p -97.27 124.69 41.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.211 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -113.66 143.0 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 111.046 -176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.657 ' HG ' ' HA ' ' A' ' 135' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.864 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.877 0.37 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.448 ' O ' ' OG ' ' A' ' 112' ' ' SER . 50.8 Cg_exo -51.14 139.96 41.96 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.934 2.422 . . . . 1.0 112.272 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.657 ' HA ' ' HG ' ' A' ' 112' ' ' SER . 11.4 m -113.84 127.32 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -37.99 151.31 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.751 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.12 -27.62 75.12 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.964 2.443 . . . . 1.0 111.764 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.6 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.458 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 13.4 t60 -86.84 -26.53 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.138 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 56.5 t -57.57 -54.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.31 -44.79 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -47.47 -45.78 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.3 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.98 -46.65 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.436 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.13 -44.7 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.538 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -63.29 -17.14 62.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.1 mmm -96.4 -2.25 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.472 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.5 67.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.619 ' CG2' HH21 ' A' ' 50' ' ' ARG . 69.0 t -104.69 137.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 1.0 110.66 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.34 -56.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.181 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.9 t -130.97 114.13 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.093 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.422 ' OG ' ' CG1' ' A' ' 148' ' ' VAL . 45.8 m -130.46 144.67 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.386 . . . . 1.0 110.986 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.34 132.18 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.086 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.63 128.22 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 1.0 111.004 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.85 117.66 16.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.99 156.07 34.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.954 2.436 . . . . 1.0 112.815 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.4 HD23 ' OG ' ' A' ' 192' ' ' SER . 25.3 mt -120.04 111.69 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.202 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.1 ptm -133.6 152.97 52.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 1.0 110.69 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.56 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 56.6 t-80 -132.37 122.18 24.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.513 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.526 ' ND1' ' N ' ' A' ' 160' ' ' GLN . 41.3 t-80 74.41 -113.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.515 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.526 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 14.3 pt20 -117.02 -5.81 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.465 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 163' ' ' TRP . 10.2 pt-20 -106.14 161.71 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.633 -176.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.7 tp -108.97 130.07 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.417 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 161' ' ' GLU . 74.1 m95 -101.01 -41.68 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.685 -178.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.84 -175.65 34.09 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.171 -0.772 . . . . 1.0 111.171 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 mp -139.42 144.16 37.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 1.0 110.672 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.72 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.9 tp -109.34 154.76 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.178 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.77 140.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 111.054 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.6 m -119.1 131.41 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.134 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.503 ' O ' ' OG1' ' A' ' 48' ' ' THR . 23.5 m80 -106.66 133.78 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.029 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -125.94 126.83 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.394 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.429 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -86.48 22.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.602 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 66.5 mm-40 -152.48 151.1 26.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.582 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.28 132.95 27.06 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.839 2.359 . . . . 1.0 112.232 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -172.61 96.66 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.388 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.6 163.72 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.882 2.388 . . . . 1.0 112.177 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.71 148.58 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 181' ' ' LEU . 49.5 m -103.88 151.18 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.605 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.93 -40.71 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.438 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' A' ' 179' ' ' GLU . 47.9 mp0 -64.41 -55.82 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.442 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.44 -36.54 81.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.38 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 177' ' ' SER . 47.5 tp -62.11 -37.88 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.308 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -69.97 -52.52 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.234 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 71.4 t -44.44 -44.61 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.085 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.63 -50.39 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.164 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -47.89 -34.55 9.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.926 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.82 -43.74 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.949 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.3 tp -51.29 -45.24 62.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.846 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.58 98.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.789 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -60.76 -36.64 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.708 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.865 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.53 -48.4 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.069 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.4 ' OG ' HD23 ' A' ' 156' ' ' LEU . 1.3 m -50.95 -28.37 9.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.958 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.58 -33.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.124 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.95 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 196' ' ' ALA . 14.5 pt -67.61 -26.93 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.185 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.56 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.53 -54.58 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.19 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -36.57 82.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.276 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.21 76.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.308 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -53.04 -42.34 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.473 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 46.5 mt -48.43 -35.82 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -49.88 -59.51 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.467 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.522 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.7 -30.9 34.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -77.19 -48.89 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 38' ' ' THR . 21.4 mm -57.42 -51.19 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.536 ' O ' ' OG1' ' A' ' 38' ' ' THR . 78.1 mt -57.33 -32.12 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.595 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.609 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.9 ttp180 -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.746 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.91 59.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.717 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 34' ' ' ILE . 61.4 p -66.79 -36.87 83.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.669 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.7 p -71.12 -25.14 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.715 -179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 77.6 mm-40 -69.98 -37.57 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.725 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -78.99 -40.73 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 38' ' ' THR . 44.4 t -53.8 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.768 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 18.6 ptt180 -49.82 -43.4 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.742 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.51 -48.78 78.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.655 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.93 -42.83 99.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -93.89 -12.25 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.493 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.21 26.3 12.89 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 ' CE1' ' A' ' 170' ' ' HIS . 33.0 m -75.43 140.0 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 1.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -53.58 -41.18 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.485 -177.189 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.695 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 16.0 ttt-85 -144.12 130.53 19.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.92 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.8 p -148.85 134.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.94 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.455 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 2.6 pttt -138.52 157.29 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.058 0.456 . . . . 1.0 111.188 -177.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 166' ' ' LEU . 76.7 t -99.25 139.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.916 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 165' ' ' LEU . 14.7 t80 -121.15 121.11 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 1.0 111.194 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -98.64 139.04 34.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.024 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 135.29 42.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 1.0 110.945 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' HIS . 3.9 m-20 -98.43 151.99 37.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.5 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.73 -45.01 6.66 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.884 2.389 . . . . 1.0 112.02 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.2 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 105.64 -8.08 43.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.574 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.5 m80 -77.2 149.5 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 1.0 110.61 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.41 162.06 25.37 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -136.42 159.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 80' ' ' LEU . 9.8 p -94.29 110.47 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.604 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -110.1 -0.74 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.657 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.14 129.34 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.549 -178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE2' ' N ' ' A' ' 78' ' ' LEU . 9.5 pt-20 -164.94 143.52 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.441 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HH11 ' A' ' 43' ' ' ARG . . . -134.53 144.83 48.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.677 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -111.52 135.12 52.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.56 117.8 4.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.77 40.84 34.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 41.99 41.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 1.0 110.679 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -81.16 -47.18 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.489 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 135.05 19.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.8 162.04 1.17 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.821 2.347 . . . . 1.0 112.057 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.44 ' HA ' HH21 ' A' ' 50' ' ' ARG . 22.4 p -90.27 127.1 36.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.624 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.695 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 33.0 mt -106.02 10.48 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.446 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.539 ' N ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 tp -59.25 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.474 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.552 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 89.23 -7.1 82.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 64' ' ' VAL . 83.6 mt -85.76 140.17 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 1.0 110.52 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -104.99 139.82 39.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.482 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -109.41 139.43 21.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.459 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.518 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 38.2 Cg_endo -73.15 148.04 43.68 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.761 2.308 . . . . 1.0 112.184 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' O ' ' OD1' ' A' ' 86' ' ' ASP . . . -72.38 -33.11 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.46 -16.27 0.32 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.518 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 21.1 p-10 -63.01 -11.97 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 1.0 110.494 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 pt -149.08 106.12 3.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.517 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 93.7 Cg_exo -41.58 -86.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.875 2.384 . . . . 1.0 112.163 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.438 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.6 tt0 -173.54 -23.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.525 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.76 -46.45 65.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.55 77.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.764 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -62.86 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.705 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -63.33 -37.7 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.38 -37.05 76.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.589 -178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.465 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 84.4 m-85 -66.77 -30.19 70.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.681 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.446 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 61.0 mtp180 -89.56 -23.9 21.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.543 ' C ' HE22 ' A' ' 99' ' ' GLN . 19.6 mt -97.14 -50.84 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.219 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.512 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -105.67 -13.89 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.226 -174.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.769 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 42.67 55.71 4.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.788 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 100' ' ' VAL . 14.6 p -160.72 123.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.391 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -170.43 128.89 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.485 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.0 153.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.62 129.12 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.626 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.669 HG12 ' H ' ' A' ' 105' ' ' ASP . 8.2 t -85.68 172.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.474 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.669 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.5 t0 -52.29 117.52 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.542 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.569 HG23 ' CG1' ' A' ' 140' ' ' VAL . 14.1 p -48.9 -15.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.8 tt0 -74.53 -37.7 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.441 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.49 56.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.49 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 54.28 66.7 1.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.711 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.5 m -90.93 124.28 35.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.261 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -109.87 136.35 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.407 . . . . 1.0 111.023 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.937 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.884 0.373 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.94 140.9 18.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.901 2.401 . . . . 1.0 112.34 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 136' ' ' ASP . 3.7 m -116.99 129.25 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.381 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.8 OUTLIER -38.95 140.69 0.66 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.75 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.15 -41.73 16.48 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.96 2.44 . . . . 1.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -53.56 -32.05 49.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.595 -178.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.423 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 16.9 t-80 -86.97 -29.6 21.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.143 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.569 ' CG1' HG23 ' A' ' 106' ' ' VAL . 93.3 t -59.53 -48.82 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.233 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -64.81 -45.07 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -44.52 -40.57 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.303 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.79 -40.6 47.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.447 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -58.94 -44.6 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.509 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.6 t -61.99 -15.51 44.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.639 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.28 4.2 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.02 22.54 73.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.9 t -108.93 143.21 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 1.0 110.635 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.28 -33.19 5.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.19 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 p -148.09 120.22 8.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.089 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 p -130.47 142.95 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.976 0.417 . . . . 1.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.8 tt -108.08 134.27 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.067 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.463 HG21 HH12 ' A' ' 101' ' ' ARG . 7.0 t -110.65 129.18 66.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 1.0 110.99 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.13 115.33 17.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.005 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 153.2 41.45 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.974 2.449 . . . . 1.0 112.768 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.2 mt -119.07 110.6 17.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.112 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.479 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 17.9 ptm -137.0 159.63 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 1.0 110.72 -176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.577 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 54.8 t60 -141.14 123.32 15.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.487 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.4 t60 76.43 -114.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.448 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -117.36 -5.76 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.465 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -105.48 158.41 16.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.566 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.405 HD21 HD21 ' A' ' 165' ' ' LEU . 25.3 tp -106.1 128.97 54.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.425 177.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -100.26 -45.53 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.631 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.93 -177.84 33.38 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 54' ' ' TYR . 30.6 mt -135.33 152.43 51.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 1.0 110.681 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.6 tp -119.04 151.38 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.228 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.2 p -160.44 138.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 1.0 111.075 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.94 141.11 48.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.168 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.482 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.1 m80 -112.23 129.09 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 1.0 111.043 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.509 ' CE1' HG23 ' A' ' 48' ' ' THR . 73.5 m80 -124.47 121.99 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.39 178.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.66 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.601 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -133.85 150.47 74.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -41.27 137.12 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.857 2.371 . . . . 1.0 112.142 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -153.78 75.91 6.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -55.63 152.35 34.58 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.844 2.362 . . . . 1.0 112.15 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -109.62 143.88 38.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.397 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.5 t -83.08 152.34 25.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -56.11 -34.98 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -78.13 -54.64 6.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.05 -35.24 78.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.384 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.3 tp -51.62 -50.94 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.297 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -66.52 -47.82 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.209 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 66.6 t -43.36 -45.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.048 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.15 -50.68 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.171 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -48.7 -35.69 14.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.903 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.7 -45.06 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.9 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 58.6 tp -50.7 -45.11 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.742 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.801 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -59.5 -38.71 81.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.741 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -68.37 -30.55 69.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.828 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.6 -49.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.028 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 157' ' ' MET . 20.4 p -53.89 -32.2 52.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.977 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.91 -35.22 71.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.176 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.15 85.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.229 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.7 -52.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.185 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.577 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.15 -47.52 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.183 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.63 -47.16 87.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.335 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -52.27 -41.86 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.433 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.4 mt -48.5 -37.24 17.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 32.8 t -51.79 -60.69 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 202' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.999 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 1.0 110.582 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.06 -32.29 33.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.564 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -73.4 -48.87 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.654 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 38' ' ' THR . 5.0 mm -56.22 -45.98 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.604 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.2 mt -56.34 -32.79 65.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.565 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.1 ttm180 -61.12 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.79 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.06 59.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.793 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 34' ' ' ILE . 77.6 p -69.17 -36.21 77.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.682 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.641 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -68.32 -26.75 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.714 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.3 -36.53 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.744 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 45' ' ' PHE . 9.3 tm-20 -75.54 -54.02 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.683 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 43' ' ' ARG . 28.4 m -53.49 -49.5 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.733 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.64 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.2 ttt-85 -49.75 -44.81 48.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.63 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.09 -40.3 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.613 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.525 ' CE1' ' OE2' ' A' ' 41' ' ' GLU . 10.1 m-85 -67.3 -36.7 82.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.549 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.23 -11.87 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.499 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.16 28.67 3.17 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 1.2 p -77.74 144.72 36.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 1.0 110.622 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -51.35 -42.25 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.741 HH12 ' HZ1' ' A' ' 52' ' ' LYS . 63.2 ttt-85 -143.54 131.67 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.84 -175.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 11.4 t -140.84 131.51 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.944 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.741 ' HZ1' HH12 ' A' ' 50' ' ' ARG . 14.8 pttm -136.53 150.84 48.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 1.0 111.233 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.571 HG22 ' CD1' ' A' ' 166' ' ' LEU . 48.4 t -98.88 138.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 1.0 109.89 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 165' ' ' LEU . 12.2 t80 -122.54 123.8 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.251 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -103.01 141.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 1.0 109.989 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -103.24 137.96 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.901 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 61' ' ' HIS . 42.1 m-20 -95.87 151.74 38.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.516 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.13 -20.34 18.71 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.836 2.357 . . . . 1.0 112.079 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -92.6 -1.95 56.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.575 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -14.99 58.86 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 57' ' ' ASP . 50.3 m80 -75.05 145.14 42.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 1.0 110.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.78 155.72 21.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 81' ' ' THR . 4.4 p -134.4 157.79 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 1.0 110.55 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.62 110.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.647 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.11 -2.43 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.406 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.79 127.15 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.531 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HG3' HH21 ' A' ' 50' ' ' ARG . 14.0 tm-20 -158.51 139.11 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.44 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.88 45.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.623 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -120.54 141.14 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.4 134.02 11.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.77 39.36 4.77 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 40.07 22.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 1.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' GLY . 75.9 ttt-85 -61.69 -46.3 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.98 148.26 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.25 157.49 59.25 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.755 2.303 . . . . 1.0 112.062 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -91.19 115.42 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -96.32 9.92 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.425 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.79 136.1 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.51 -8.94 75.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 mt -85.8 145.24 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 1.0 110.492 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 63' ' ' THR . 73.2 p -110.55 146.31 36.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.32 142.66 29.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.471 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.06 140.29 37.5 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.725 2.284 . . . . 1.0 112.163 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.78 80.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.742 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -49.16 -17.65 1.06 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -57.21 -7.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 1.0 110.486 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.42 ' H ' ' C ' ' A' ' 85' ' ' GLY . 16.0 pt -152.28 149.04 22.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.531 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.04 -94.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.874 2.383 . . . . 1.0 112.108 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -170.1 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.629 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -55.39 -43.12 74.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -42.57 65.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.812 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.98 -33.51 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.675 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -63.16 -34.52 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.74 -33.56 73.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.513 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.533 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 26.0 m-85 -70.6 -34.41 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.731 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.695 HH12 ' H ' ' A' ' 162' ' ' LEU . 21.6 mtp85 -86.68 -20.26 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.706 ' N ' HE22 ' A' ' 99' ' ' GLN . 96.2 mt -101.77 -49.83 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.175 -176.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.08 -16.55 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.231 -173.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.868 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 43.39 54.8 5.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.864 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.5 t -153.08 123.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.419 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 10.1 tpp180 -157.35 124.6 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 133' ' ' ARG . 47.1 t -147.09 146.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.61 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 103' ' ' ILE . 4.0 mp -112.4 126.78 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.614 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 105' ' ' ASP . 1.9 t -84.66 172.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.466 -177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.577 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.6 t0 -52.77 117.12 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.541 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 140' ' ' VAL . 20.0 t -49.67 -17.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.535 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.8 tp10 -73.23 -38.77 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.491 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.87 58.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.496 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.92 65.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.728 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 p -91.04 124.48 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.197 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -110.34 136.51 49.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 1.0 110.995 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.453 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.889 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' VAL . 19.7 mmm180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.931 0.396 . . . . 1.0 110.561 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.77 141.43 17.14 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.918 2.412 . . . . 1.0 112.311 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.45 129.9 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.454 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.7 OUTLIER -41.76 151.11 0.33 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.762 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -46.32 -19.16 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.922 2.415 . . . . 1.0 111.764 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -40.89 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.09 -23.33 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.175 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 106' ' ' VAL . 72.9 t -60.52 -57.99 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.172 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -66.26 -48.08 71.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.23 -42.75 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.307 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.99 -44.89 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.445 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -58.08 -45.84 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.569 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.0 m -63.43 -17.03 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.584 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 22.6 mmm -97.26 0.29 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.95 21.6 73.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.447 HG21 ' HD1' ' A' ' 169' ' ' HIS . 24.3 t -110.34 143.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 1.0 110.646 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -113.01 -43.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.232 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 p -136.65 120.95 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.4 p -128.97 140.31 51.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.992 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' A' ' 176' ' ' TYR . 5.0 tt -102.24 132.86 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.133 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.52 HG22 HG23 ' A' ' 167' ' ' VAL . 66.5 t -112.77 129.49 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 1.0 111.012 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.4 121.29 18.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.009 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.2 145.53 24.41 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.943 2.429 . . . . 1.0 112.723 -175.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.96 107.99 17.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.183 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 13.3 ptm -136.99 161.46 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 1.0 110.719 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 21.2 t-80 -134.17 123.34 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.587 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 75.4 t60 64.25 -105.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.46 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -117.49 -5.34 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.405 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -102.81 151.33 22.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.613 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.695 ' H ' HH12 ' A' ' 96' ' ' ARG . 23.1 tp -104.72 126.96 52.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.505 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -99.95 -43.54 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.671 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.43 -177.21 31.31 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.193 -0.763 . . . . 1.0 111.193 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.31 133.89 33.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.688 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.571 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.3 tp -100.76 151.97 21.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.167 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.52 HG23 HG22 ' A' ' 153' ' ' VAL . 12.6 p -158.33 134.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 1.0 111.05 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -117.52 134.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.156 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.447 ' HD1' HG21 ' A' ' 148' ' ' VAL . 47.0 m-70 -109.73 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.004 -177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.439 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.8 t-80 -128.98 133.89 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.304 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -70.22 -23.54 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.58 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.92 151.91 55.56 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.585 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.92 -66.82 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.811 2.34 . . . . 1.0 112.217 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.34 74.42 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.78 162.16 7.14 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.816 2.344 . . . . 1.0 112.219 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.461 ' CE1' HD12 ' A' ' 152' ' ' LEU . 95.1 m-85 -112.12 141.87 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.4 p -84.99 152.9 23.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.654 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -55.08 -35.83 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.403 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 183' ' ' VAL . 85.1 tt0 -74.87 -48.85 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.403 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.43 -36.33 82.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.379 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 181' ' ' LEU . 2.5 tt -51.37 -57.67 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.271 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.85 -47.82 84.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.241 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 179' ' ' GLU . 54.9 t -45.25 -49.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.068 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.18 -52.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.153 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.69 -37.23 18.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.917 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.2 -43.58 61.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.414 HD21 HG12 ' A' ' 42' ' ' VAL . 59.9 tp -51.52 -45.31 62.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.83 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.94 97.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.762 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -59.67 -36.54 76.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.74 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.766 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.99 -49.39 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.117 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -33.3 54.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.991 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.4 mt -67.56 -32.92 59.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.136 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.36 84.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.221 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 6.9 mt -61.82 -34.17 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.227 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.583 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -74.29 -54.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.327 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.475 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.6 pt20 -62.91 -39.47 94.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.252 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.48 -33.79 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.312 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -53.0 -43.49 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.442 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.12 -27.85 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.415 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 94.9 p -54.62 -59.15 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.603 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.491 HD22 HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.512 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.38 -31.22 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -76.74 -46.59 24.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 38' ' ' THR . 26.0 mm -56.39 -50.13 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.579 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' O ' ' OG1' ' A' ' 38' ' ' THR . 89.3 mt -56.19 -35.95 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.602 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.591 ' O ' HG12 ' A' ' 39' ' ' VAL . 55.6 ttp180 -61.62 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.816 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -27.21 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.763 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 34' ' ' ILE . 75.5 p -68.02 -37.52 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.642 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.686 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 2.3 p -71.44 -24.82 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.72 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' OE1' ' NH2' ' A' ' 43' ' ' ARG . 72.6 mm-40 -75.14 -45.91 37.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -71.03 -39.65 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 38' ' ' THR . 44.8 t -57.39 -54.62 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.747 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -48.6 -43.52 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.687 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.9 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.654 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.95 -43.15 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.542 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -94.1 -11.61 30.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.515 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.12 25.83 4.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 62.0 m -75.0 141.72 43.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 1.0 110.595 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.95 -42.11 59.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.533 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.571 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 42.1 ttt85 -144.87 131.44 19.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.872 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.3 p -144.2 131.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.968 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -137.17 153.05 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 1.0 111.228 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.552 HG22 ' CD1' ' A' ' 166' ' ' LEU . 48.0 t -100.66 139.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.926 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.458 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.7 t80 -126.75 127.83 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 1.0 111.25 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 41.0 ptt180 -106.95 147.67 29.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.981 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.19 142.11 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.016 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.3 m-20 -101.1 152.52 37.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.437 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -41.08 -45.85 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.806 2.337 . . . . 1.0 112.082 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.71 -12.69 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 107.59 -7.14 36.3 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.0 m80 -74.75 145.72 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 1.0 110.512 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -131.22 155.27 21.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 10.6 p -134.46 157.13 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -92.44 110.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.606 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 65' ' ' VAL . 46.0 t -106.84 -2.01 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.434 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.686 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.72 123.5 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.525 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -155.49 139.68 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.434 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB1' ' NH2' ' A' ' 43' ' ' ARG . . . -135.28 143.18 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.653 178.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -130.56 144.78 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.638 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.67 141.13 15.34 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 44.13 36.15 3.88 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 40.98 21.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.0 110.601 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.2 tpm_? -59.9 -41.99 92.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.578 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.34 120.42 41.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.541 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.1 Cg_exo -49.68 161.69 0.79 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.763 2.309 . . . . 1.0 111.978 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.447 ' HA ' HH22 ' A' ' 50' ' ' ARG . 29.5 t -88.36 119.63 28.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.709 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 23.6 mt -98.08 4.39 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.493 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.07 135.73 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 -8.89 78.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 80' ' ' LEU . 73.6 mt -85.41 144.6 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 1.0 110.52 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.9 t -112.54 148.95 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.5 m-85 -117.26 149.37 44.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.428 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -78.24 147.54 23.34 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.718 2.278 . . . . 1.0 112.062 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.75 72.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.02 -19.38 1.46 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -66.84 -27.97 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 1.0 110.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 mt -131.67 91.41 33.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.444 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 65.3 Cg_exo -34.63 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.914 2.409 . . . . 1.0 112.065 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.8 tt0 -172.17 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.535 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -52.78 -44.89 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.684 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.5 -37.54 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.842 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -63.41 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.69 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.457 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 91.3 mtt-85 -65.18 -38.08 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.568 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -36.63 71.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.588 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 80.8 m-85 -69.98 -33.42 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.751 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.482 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 58.4 ttp180 -88.68 -24.48 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.868 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' C ' HE22 ' A' ' 99' ' ' GLN . 90.1 mt -97.07 -49.43 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 -176.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.474 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.16 -173.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.75 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 41.72 55.41 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.789 -179.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 100' ' ' VAL . 10.7 p -162.25 124.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.437 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' A' ' 101' ' ' ARG . 0.0 OUTLIER -170.36 131.23 0.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.495 178.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.4 t -144.51 153.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.479 HD13 HD11 ' A' ' 143' ' ' LEU . 70.7 mt -110.6 128.97 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.618 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 105' ' ' ASP . 17.3 t -85.71 173.05 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.427 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.678 ' H ' HG12 ' A' ' 104' ' ' VAL . 35.5 m-20 -50.22 117.63 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.58 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 106' ' ' VAL . 26.7 t -50.58 -11.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.586 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 109' ' ' GLN . 48.5 tp10 -70.65 -38.57 73.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.41 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.37 0.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.497 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 13.6 pt20 37.44 71.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.762 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.6 p -92.59 123.63 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.235 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -112.52 139.84 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.977 0.417 . . . . 1.0 111.001 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.572 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.9 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.87 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.904 0.383 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.79 139.91 16.0 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.965 2.443 . . . . 1.0 112.257 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 135' ' ' VAL . 15.7 m -117.38 132.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.409 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.572 ' N ' ' OG ' ' A' ' 112' ' ' SER . 5.7 t0 -41.87 144.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.441 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 8.4 Cg_endo -49.97 -11.88 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.943 2.429 . . . . 1.0 111.817 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.45 -40.26 73.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -84.1 -30.92 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.195 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.47 -63.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.198 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -58.22 -41.34 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.385 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -48.63 -44.11 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.249 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 103' ' ' ILE . 11.4 mt -72.33 -47.08 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.539 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -55.98 -44.12 78.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.8 p -64.78 -17.68 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmm -95.77 -1.87 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.489 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.62 23.37 64.9 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.4 t -112.93 143.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 1.0 110.703 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.71 -45.49 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.194 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.2 p -131.67 118.25 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.054 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.5 t -129.47 141.13 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.9 0.381 . . . . 1.0 111.011 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -99.51 134.35 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.086 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.2 126.36 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 1.0 111.017 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.82 118.25 16.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.012 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.74 155.9 31.21 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.994 2.462 . . . . 1.0 112.767 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.9 mt -120.29 111.81 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.103 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.533 ' N ' ' OG ' ' A' ' 192' ' ' SER . 15.4 ptm -133.46 157.58 45.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 1.0 110.648 -175.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.62 ' NE2' ' CE1' ' A' ' 159' ' ' HIS . 57.8 t60 -135.43 123.82 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.558 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.62 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 27.7 m-70 70.67 -110.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.505 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -118.15 -4.76 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.458 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.427 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 12.6 pt-20 -106.61 161.7 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.662 -176.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.42 129.14 55.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.464 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.427 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 46.3 m95 -102.09 -44.09 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.659 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -157.72 -176.94 30.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.22 -0.752 . . . . 1.0 111.22 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 tt -142.05 140.25 32.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 1.0 110.678 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.0 tp -104.81 153.49 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.152 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.4 p -158.45 135.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 1.0 111.015 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 133.63 55.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.127 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.518 ' O ' ' CG2' ' A' ' 48' ' ' THR . 32.0 m-70 -108.56 129.08 55.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 1.0 111.077 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -124.45 126.78 46.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.374 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -84.26 32.7 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.613 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 25.1 mt-10 -160.7 142.93 9.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.53 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 174' ' ' ARG . 88.3 Cg_exo -41.57 -78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.778 2.319 . . . . 1.0 112.215 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 173' ' ' PRO . 0.0 OUTLIER 35.34 89.01 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.324 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.41 172.72 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 1.0 112.264 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -109.77 142.62 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.395 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 62.9 m -87.99 151.52 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.9 -25.91 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.444 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -82.0 -52.83 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.421 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 184' ' ' VAL . 95.8 mt-10 -65.89 -19.01 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.421 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 51.0 tp -74.78 -45.79 41.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.345 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.16 -56.48 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.173 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.5 p -46.66 -39.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.1 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 180' ' ' GLU . 73.7 t -73.18 -52.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.11 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -46.17 -31.2 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.958 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.2 tp -72.68 -43.76 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.94 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 61.6 tp -51.3 -45.66 62.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.866 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.77 92.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.818 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -58.06 -37.17 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.777 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 -30.27 67.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.856 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.5 t -75.57 -50.03 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.2 t -50.85 -27.21 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.952 178.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 46.6 mt -76.41 -32.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.115 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.08 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.233 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 196' ' ' ALA . 12.8 pt -63.8 -30.5 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.259 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -73.41 -49.62 26.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.289 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.11 -41.64 97.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.18 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.04 -33.03 74.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.327 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.32 -43.23 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.466 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 50.0 mt -48.31 -29.7 4.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 92.3 p -52.5 -59.07 4.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.61 179.775 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.885 0.374 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -54.57 -31.84 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.571 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -76.89 -49.47 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.684 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' THR . 96.5 mt -57.73 -52.02 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.559 ' O ' ' OG1' ' A' ' 38' ' ' THR . 64.6 mt -56.54 -31.88 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.587 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' HG12 ' A' ' 39' ' ' VAL . 24.2 ttm180 -64.03 -40.46 96.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.794 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.79 -27.18 57.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.559 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 57.2 p -65.66 -38.62 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.755 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.688 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -70.91 -25.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.74 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.09 -36.87 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.08 -40.4 31.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.683 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 38' ' ' THR . 53.6 t -55.38 -56.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.717 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -52.09 -44.03 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -57.9 -49.03 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -63.09 -42.85 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.525 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.02 -13.18 27.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.521 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.67 25.77 15.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.548 HG23 ' CD2' ' A' ' 170' ' ' HIS . 37.5 m -74.67 139.74 43.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 1.0 110.611 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.503 ' CG ' HH21 ' A' ' 73' ' ' ARG . 88.8 m-20 -51.41 -43.83 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.431 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 32.2 ttt180 -143.75 131.47 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.938 -176.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -149.78 134.33 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.965 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -138.77 156.81 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 1.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.02 139.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.814 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.1 t80 -119.62 120.5 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 1.0 111.169 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -100.82 141.58 33.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.986 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.41 128.9 46.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.99 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.3 m-20 -94.59 155.79 39.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -38.24 -53.2 1.73 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 1.0 112.139 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 56.9 tt0 -69.99 -12.7 61.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.593 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.21 -4.72 52.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 56.0 p-80 -81.96 101.53 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.527 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -88.05 168.0 36.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 p -139.58 161.95 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 1.0 110.601 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.446 HG12 HD12 ' A' ' 78' ' ' LEU . 4.0 t -90.1 108.28 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.27 -3.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.429 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.688 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.68 126.11 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.489 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.563 ' CD ' HH21 ' A' ' 50' ' ' ARG . 37.2 tt0 -157.88 140.28 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.1 137.82 44.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.693 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -124.1 143.34 50.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.64 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.88 141.86 15.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.12 34.92 0.64 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 41.96 19.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.609 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 25.1 ttp180 -55.94 -43.5 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.539 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 mt -108.45 126.79 28.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.62 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 78.3 Cg_exo -49.83 160.27 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 1.0 112.027 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -92.18 117.03 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.661 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 20.8 mt -99.68 9.96 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.471 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.446 HD12 HG12 ' A' ' 64' ' ' VAL . 6.5 tp -63.86 141.1 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.499 -177.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.07 -6.14 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.46 147.52 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 1.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 p -104.59 133.12 49.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.34 109.0 61.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.08 146.28 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.72 2.28 . . . . 1.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.15 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -19.17 1.85 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.36 -24.42 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 1.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 40.3 mt -119.88 94.99 49.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.521 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.7 Cg_exo -39.71 -111.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.937 2.425 . . . . 1.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 81.7 tt0 -158.89 -53.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.572 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -47.86 -44.71 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.624 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.32 -30.52 68.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.782 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.77 -32.75 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.6 mtp180 -63.38 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.8 -34.75 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.539 ' CD2' HD23 ' A' ' 165' ' ' LEU . 7.6 m-85 -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.706 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -95.08 -21.05 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.584 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 58.2 mt -92.34 -49.58 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.226 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.84 -13.79 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.177 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 5.5 mp0 44.71 58.05 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.813 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 99' ' ' GLN . 4.4 m -155.52 120.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.347 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -163.41 129.29 3.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.479 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.43 ' H ' ' HB2' ' A' ' 133' ' ' ARG . 2.4 p -148.49 151.07 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.701 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.71 127.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 105' ' ' ASP . 5.9 t -84.91 172.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.444 -178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.678 ' H ' HG12 ' A' ' 104' ' ' VAL . 44.7 m-20 -51.06 114.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.584 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 106' ' ' VAL . 37.3 t -48.53 -13.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' ASP . 45.0 tp10 -77.1 -36.33 55.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.488 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.8 61.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.535 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 55.49 65.86 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 m -94.96 124.44 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.199 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -111.64 140.21 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.427 . . . . 1.0 110.973 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.916 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.602 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.912 0.387 . . . . 1.0 110.585 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.46 141.87 13.88 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.909 2.406 . . . . 1.0 112.265 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 135' ' ' VAL . 22.2 m -121.9 130.28 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.368 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.485 ' CG ' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -40.92 157.86 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.707 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.408 ' CD ' ' OD1' ' A' ' 136' ' ' ASP . 31.4 Cg_exo -56.09 -30.08 77.35 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.949 2.432 . . . . 1.0 111.778 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.753 ' HG ' ' CE1' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -62.03 -29.7 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.659 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.914 ' ND1' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -86.96 -28.85 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.128 176.388 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.444 ' CG1' HG13 ' A' ' 106' ' ' VAL . 97.9 t -59.43 -50.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.181 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.22 -46.19 84.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.408 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.58 -43.5 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.335 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.31 -44.69 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.485 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -56.86 -45.54 82.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.641 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.7 p -62.8 -15.65 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.542 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.4 mmm -97.75 0.97 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.505 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.74 71.01 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.61 140.9 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 1.0 110.615 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.98 -32.47 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.196 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.1 t -152.98 118.53 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.014 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -127.09 141.22 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.948 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.5 tp -104.09 131.96 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.115 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.87 127.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.962 0.411 . . . . 1.0 111.038 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.05 96.61 36.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.108 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.446 ' HG3' ' CD2' ' A' ' 95' ' ' PHE . 51.7 Cg_exo -50.64 148.32 15.93 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.882 2.388 . . . . 1.0 112.798 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.21 111.77 20.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.13 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.438 ' O ' ' OG ' ' A' ' 192' ' ' SER . 9.6 ptm -138.39 162.87 33.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 1.0 110.681 -175.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.57 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 64.4 t60 -143.6 122.2 12.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 51.5 t-80 76.18 -113.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -177.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.43 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 5.4 pp0? -118.4 -6.82 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.5 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -104.44 158.99 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.697 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -106.64 129.49 54.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.451 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.3 -44.74 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.588 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.698 ' C ' HD12 ' A' ' 165' ' ' LEU . . . -158.05 -177.48 31.2 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.247 -0.741 . . . . 1.0 111.247 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 165' ' ' LEU . 3.5 mp -137.08 136.67 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 1.0 110.681 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.32 149.52 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.148 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.3 p -158.76 135.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 1.0 111.033 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.412 ' HG ' ' CB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -118.28 138.16 52.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.16 178.079 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 48' ' ' THR . 12.7 m80 -109.46 127.87 54.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.062 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.548 ' CD2' HG23 ' A' ' 48' ' ' THR . 76.8 m-70 -123.96 124.88 43.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.334 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.63 64.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 0.1 OUTLIER -127.43 158.0 71.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.76 140.82 96.67 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.875 2.383 . . . . 1.0 112.183 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -160.07 84.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.319 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.52 157.13 12.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.803 2.335 . . . . 1.0 112.263 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -109.64 145.13 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.452 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -103.87 156.85 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.657 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.58 -44.99 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.384 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -43.92 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 184' ' ' VAL . 79.8 mm-40 -74.23 -8.07 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 185' ' ' GLN . 32.7 tp -83.03 -42.83 17.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.267 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 186' ' ' LEU . 92.9 mm-40 -65.09 -50.65 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.206 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.706 HG23 ' N ' ' A' ' 184' ' ' VAL . 21.5 m -47.15 -53.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.146 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.706 ' N ' HG23 ' A' ' 183' ' ' VAL . 7.6 p -76.37 -53.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.126 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.681 ' N ' HG13 ' A' ' 184' ' ' VAL . 63.4 tt0 -50.06 -38.89 40.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.92 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 182' ' ' GLN . 46.6 tp -74.81 -44.49 49.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.011 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 191' ' ' VAL . 59.1 tp -52.45 -46.95 66.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.97 88.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.752 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.721 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.72 -30.73 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 187' ' ' LEU . 38.2 t -75.14 -51.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.029 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 157' ' ' MET . 42.6 p -53.63 -31.38 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.022 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -69.69 -34.19 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.076 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.14 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.275 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.5 mt -55.41 -53.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.269 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.57 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -61.97 -46.84 87.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.283 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -60.86 -47.01 88.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.338 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -52.78 -41.51 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.452 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.56 -35.82 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.0 m -50.91 -59.66 3.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.882 -1.056 . . . . 1.0 110.507 179.572 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -53.53 -32.3 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.698 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -76.56 -48.64 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 38' ' ' THR . 4.8 mm -57.12 -52.27 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.597 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' A' ' 38' ' ' THR . 59.2 mt -56.56 -32.89 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.624 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' VAL . 75.5 ttt180 -62.83 -42.91 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.84 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.796 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.7 p -68.77 -37.17 79.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.689 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.667 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -69.1 -26.89 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.699 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.25 -33.66 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.772 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.89 -53.68 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.687 HG23 ' N ' ' A' ' 43' ' ' ARG . 34.4 m -52.81 -53.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.721 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.687 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -49.47 -42.72 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.687 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.434 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -52.92 -41.96 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.41 -35.14 78.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.558 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.92 -11.99 25.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.6 28.67 10.84 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.433 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.3 142.32 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 1.0 110.618 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.7 p30 -54.05 -39.05 65.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.502 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.582 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 15.7 ttt85 -144.12 132.44 21.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.904 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 6.5 t -141.61 131.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.873 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.1 pttt -136.85 151.29 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.025 0.441 . . . . 1.0 111.213 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 66' ' ' ALA . 60.0 t -96.77 137.73 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.826 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 52.8 t80 -117.27 113.92 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 1.0 111.144 -177.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -92.86 131.68 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.939 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 75.1 t80 -98.44 127.69 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.961 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -94.8 160.84 30.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.484 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.74 -22.35 57.26 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.868 2.379 . . . . 1.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -90.04 -6.84 55.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.578 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.91 -15.42 51.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 71.6 m80 -74.48 141.73 44.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 1.0 110.589 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -126.97 148.08 17.17 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 p -129.32 152.01 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 1.0 110.515 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.45 109.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -103.85 -3.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.391 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.667 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.83 126.41 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.561 ' CD ' HH21 ' A' ' 50' ' ' ARG . 49.0 tt0 -158.51 139.33 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.433 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.89 138.57 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.689 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HB3' HH12 ' A' ' 50' ' ' ARG . 35.0 ptt180 -117.81 140.83 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.589 -177.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.2 136.16 12.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.96 36.74 1.95 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 42.13 19.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 1.0 110.61 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.8 tpt180 -55.66 -45.15 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -108.08 146.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.607 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.571 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 40.2 Cg_endo -67.74 158.86 55.31 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.763 2.308 . . . . 1.0 112.053 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.463 ' HA ' HH22 ' A' ' 50' ' ' ARG . 69.5 m -85.05 118.71 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.735 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.36 3.15 45.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.467 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 18.4 tp -56.42 137.16 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.508 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -8.7 76.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -84.72 145.74 27.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.34 . . . . 1.0 110.549 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -107.56 138.49 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -105.58 141.65 23.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 1.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -73.74 142.11 31.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.698 2.265 . . . . 1.0 112.179 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -69.72 -35.43 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.16 -17.41 0.34 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ALA . 94.4 m-20 -64.38 -21.36 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 1.0 110.429 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 87' ' ' ILE . 5.0 mt -145.47 99.48 4.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.548 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.43 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.9 Cg_exo -37.88 -82.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.846 2.364 . . . . 1.0 112.131 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.43 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.4 tt0 -174.9 -33.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.57 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -56.33 -44.98 80.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.48 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.83 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -70.38 -31.55 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.696 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.54 -42.6 91.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.601 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.619 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 10.3 mt -58.67 -34.31 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.584 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.442 ' CD2' HD11 ' A' ' 165' ' ' LEU . 6.6 m-85 -72.59 -24.74 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.692 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.521 ' C ' HE22 ' A' ' 99' ' ' GLN . 55.7 ttp180 -86.61 -27.66 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.762 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.32 -40.17 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.208 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 94' ' ' LEU . . . -95.62 -26.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.199 -175.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.769 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 39.3 51.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.809 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 99' ' ' GLN . 35.8 t -162.12 127.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.651 ' O ' HG22 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -173.44 130.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.493 177.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.529 ' N ' HH11 ' A' ' 101' ' ' ARG . 4.5 m -144.7 154.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.612 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.9 129.89 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.56 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 105' ' ' ASP . 11.9 t -85.12 173.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.419 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.697 ' H ' HG12 ' A' ' 104' ' ' VAL . 25.9 m-20 -49.21 117.72 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.517 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -50.68 -16.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.556 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 105' ' ' ASP . 85.4 tt0 -74.08 -37.19 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.432 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.7 -15.54 30.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.503 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 53.4 69.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.701 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -92.14 122.22 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.185 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -110.53 138.87 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 1.0 111.029 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.906 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.939 0.399 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.89 144.89 7.6 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.929 2.419 . . . . 1.0 112.327 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.45 135.18 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.465 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -40.49 141.52 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.69 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -44.71 -29.4 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.949 2.433 . . . . 1.0 111.764 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.77 -40.32 79.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -82.81 -31.65 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.192 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.08 -60.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.176 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.79 -43.1 98.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.32 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -46.24 -40.87 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.308 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 30.2 mt -74.97 -42.34 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.444 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -57.31 -45.07 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.504 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.3 p -63.73 -16.13 60.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 25.4 mmm -96.93 -1.43 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.58 21.74 71.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.94 141.77 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 1.0 110.691 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.71 -46.3 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.224 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 42.0 t -133.57 120.9 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.094 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.1 p -129.07 138.62 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 1.0 110.954 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.83 130.48 56.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.052 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 101' ' ' ARG . 0.8 OUTLIER -118.08 141.57 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 1.0 111.039 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.55 98.27 23.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.024 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -49.69 151.69 7.5 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.933 2.422 . . . . 1.0 112.816 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -115.8 110.38 18.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.169 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.536 ' N ' ' OG ' ' A' ' 192' ' ' SER . 9.5 ptm -137.89 155.32 49.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 1.0 110.717 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.641 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 2.4 t-80 -137.25 124.61 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.526 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.641 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 45.7 m-70 77.14 -118.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -115.76 -0.08 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.475 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.44 161.68 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.628 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.5 tp -107.84 128.88 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.457 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -99.81 -43.27 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.736 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -158.11 -176.24 29.94 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 166' ' ' LEU . 1.9 tt -139.63 130.23 25.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.871 0.367 . . . . 1.0 110.709 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.754 ' N ' HD23 ' A' ' 165' ' ' LEU . 5.0 tp -95.19 144.48 25.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.164 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 153' ' ' VAL . 8.6 p -147.74 130.06 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 1.0 111.016 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.25 130.94 56.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.207 177.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -111.67 134.22 53.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.12 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.46 130.21 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.37 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.69 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.684 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 9.9 mp0 -92.49 151.53 41.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.468 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.25 13.59 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.746 2.297 . . . . 1.0 112.216 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -48.87 126.56 13.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.353 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.26 170.9 16.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.843 2.362 . . . . 1.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -96.8 137.44 35.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.443 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 35.8 t -87.61 153.12 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.683 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.32 -31.44 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 183' ' ' VAL . 96.5 mt-10 -70.7 -49.31 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.422 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 184' ' ' VAL . 96.7 mt-10 -72.17 -12.97 61.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.404 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 181' ' ' LEU . 3.4 tt -66.38 -66.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.286 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 11.7 pt20 -71.05 -50.46 33.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.203 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.493 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 60.9 t -42.42 -46.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.064 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 180' ' ' GLU . 92.7 t -74.24 -46.15 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.183 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -45.79 -31.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.979 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.77 -43.95 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.913 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 191' ' ' VAL . 80.3 mt -56.09 -48.92 75.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.831 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.786 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.39 -34.84 72.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 1.0 109.726 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -71.79 -30.03 65.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.855 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 187' ' ' LEU . 31.3 t -75.58 -50.2 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.011 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 157' ' ' MET . 6.3 t -53.96 -33.26 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.033 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 33.3 mt -68.06 -31.41 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.112 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.94 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.216 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.1 mt -55.32 -53.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.245 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.604 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -64.79 -48.06 75.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.215 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -60.83 -46.6 89.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.308 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.28 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -52.36 -41.73 63.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.458 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 tp -47.9 -34.33 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.419 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 94.6 p -50.0 -59.79 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.463 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.581 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 1.0 110.53 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -49.34 -35.2 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -75.25 -51.33 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.697 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 38' ' ' THR . 96.4 mt -57.34 -46.45 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.612 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.557 ' O ' ' OG1' ' A' ' 38' ' ' THR . 30.1 mt -56.91 -31.41 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.618 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.544 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.6 ttp180 -63.83 -41.21 97.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.773 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' O ' ' OE1' ' A' ' 41' ' ' GLU . . . -74.58 -27.07 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.2 p -66.69 -36.48 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.589 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.12 -24.45 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.736 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.57 -46.38 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.773 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 7.8 mp0 -70.54 -38.27 74.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 38' ' ' THR . 56.0 t -55.71 -54.26 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.768 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ttm180 -50.19 -44.47 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.717 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.61 78.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.615 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -62.78 -42.2 99.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.482 ' HB3' HG23 ' A' ' 48' ' ' THR . 6.2 mt -94.47 -13.04 26.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.522 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.768 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.84 26.3 5.59 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.482 HG23 ' HB3' ' A' ' 46' ' ' LEU . 4.6 p -75.98 142.73 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -49.07 -43.72 41.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.502 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.742 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 69.4 ttt180 -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.929 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -148.6 133.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.91 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -138.06 154.44 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.074 0.464 . . . . 1.0 111.178 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.578 HG22 ' CD1' ' A' ' 166' ' ' LEU . 53.3 t -99.99 139.56 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.656 . . . . 1.0 109.841 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 6.6 t80 -125.43 125.65 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 1.0 111.211 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -99.72 137.69 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.907 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -99.77 131.67 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 1.0 110.932 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.561 ' CG ' ' NE2' ' A' ' 61' ' ' HIS . 1.3 m-20 -98.04 152.08 37.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.47 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.84 -21.76 42.08 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.844 2.363 . . . . 1.0 112.065 -176.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 57.5 tt0 -86.28 -8.36 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.596 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 -16.48 45.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.561 ' NE2' ' CG ' ' A' ' 57' ' ' ASP . 28.3 p-80 -82.18 152.73 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 1.0 110.56 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -137.16 160.86 25.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 81' ' ' THR . 5.6 p -134.94 157.95 45.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 1.0 110.586 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.67 110.68 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.645 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.51 -2.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.422 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.61 126.33 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.605 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HG3' HH21 ' A' ' 50' ' ' ARG . 13.5 tm-20 -158.37 140.39 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.433 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HB1' HH21 ' A' ' 43' ' ' ARG . . . -134.05 136.95 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.65 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -116.67 140.65 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.632 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.68 119.33 6.47 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 54.57 40.08 68.75 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 40.97 22.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 71' ' ' GLY . 24.1 ttm180 -60.88 -49.46 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.536 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.79 150.91 37.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.554 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 55.8 Cg_endo -71.41 147.49 52.63 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.77 2.314 . . . . 1.0 111.991 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.4 m -83.58 111.1 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.704 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.742 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 17.6 mt -96.12 8.08 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.532 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.9 tp -56.43 135.53 54.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.495 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -6.17 83.88 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.5 mt -88.21 144.24 26.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 1.0 110.545 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 63' ' ' THR . 72.5 p -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.455 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 26.4 m-85 -115.63 146.4 36.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.484 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -71.03 147.52 54.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.69 2.26 . . . . 1.0 112.119 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.91 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.72 -16.56 1.72 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 62.5 t0 -73.2 -21.62 60.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 2.0 mt -118.23 101.31 51.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.58 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.3 Cg_exo -45.74 -117.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.881 2.387 . . . . 1.0 112.138 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.9 tt0 -160.62 -54.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.679 ' CD ' ' H ' ' A' ' 90' ' ' GLU . 1.6 pm0 -45.8 -42.93 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.682 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.77 -44.0 64.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.784 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.11 -33.45 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.762 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 95.6 mtt-85 -62.02 -33.05 73.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.62 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 98' ' ' ALA . 27.4 mt -64.78 -31.86 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.603 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.581 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 10.5 m-85 -71.81 -35.03 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.589 ' C ' HE22 ' A' ' 99' ' ' GLN . 45.6 ttp180 -86.21 -20.59 28.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.785 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.705 ' N ' HE22 ' A' ' 99' ' ' GLN . 97.1 mt -103.27 -46.96 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.182 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -104.56 -20.84 13.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.197 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.848 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.48 55.97 6.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.8 -178.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.5 t -153.35 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.444 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' A' ' 101' ' ' ARG . 12.2 tpt85 -159.76 125.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.518 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.58 149.13 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.577 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.79 129.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.594 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.22 176.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.445 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.413 ' OD1' ' OG ' ' A' ' 150' ' ' SER . 15.4 m-20 -52.19 117.56 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.408 HG13 ' CG1' ' A' ' 140' ' ' VAL . 25.3 t -52.17 -15.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.602 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -75.87 -35.83 59.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.413 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.68 -14.41 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.523 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.68 ' NE2' HH21 ' A' ' 111' ' ' ARG . 53.1 tt0 53.93 67.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.689 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -88.68 123.23 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.206 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.68 HH21 ' NE2' ' A' ' 109' ' ' GLN . 98.9 mtt180 -109.78 133.35 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.974 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.842 177.633 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.932 0.396 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.41 141.79 14.4 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.938 2.426 . . . . 1.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.04 135.39 62.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.375 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.4 m-20 -40.01 138.38 1.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.757 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.53 -18.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.015 2.477 . . . . 1.0 111.762 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -63.1 -51.11 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -71.04 -30.75 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.131 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.408 ' CG1' HG13 ' A' ' 106' ' ' VAL . 41.4 t -58.69 -58.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.25 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -66.09 -46.15 78.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.341 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -44.89 -41.41 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.333 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.78 -41.31 60.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.467 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -58.52 -44.27 89.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.491 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.5 m -63.73 -18.33 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 13.9 mmm -94.4 0.1 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.23 72.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.1 t -110.17 143.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 1.0 110.696 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.06 -45.61 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.187 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.413 ' OG ' ' OD1' ' A' ' 105' ' ' ASP . 68.2 m -133.6 121.62 22.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.031 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 30.0 t -129.8 139.98 51.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 1.0 110.939 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.18 134.41 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.081 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 167' ' ' VAL . 45.3 t -113.81 128.96 70.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 1.0 110.992 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.1 117.44 15.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.009 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 150.45 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.976 2.451 . . . . 1.0 112.794 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.43 110.31 19.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.098 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.3 ptm -136.56 159.11 42.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 1.0 110.694 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.645 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 39.0 t-80 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.569 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 19.9 t60 64.89 -105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.507 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.25 -6.18 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.481 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -102.97 152.37 21.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.582 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 23.8 tp -104.84 125.73 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -99.63 -41.95 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.692 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.75 -176.11 35.34 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.6 141.03 37.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 1.0 110.698 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.1 tp -103.91 150.84 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.164 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 153' ' ' VAL . 11.0 p -155.51 132.82 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 1.0 111.066 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.5 m -117.24 136.99 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.169 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -108.4 130.38 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 1.0 111.088 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.673 ' CD2' HH12 ' A' ' 174' ' ' ARG . 4.9 t60 -128.42 128.08 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.335 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -71.75 -26.4 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.584 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.2 153.59 37.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.548 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.47 ' O ' ' O ' ' A' ' 174' ' ' ARG . 48.2 Cg_endo -69.81 -92.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.842 2.361 . . . . 1.0 112.225 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.673 HH12 ' CD2' ' A' ' 170' ' ' HIS . 20.8 ttp-105 58.68 127.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.55 164.95 27.84 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.83 2.354 . . . . 1.0 112.14 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -106.36 148.32 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.6 t -91.0 151.87 20.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . 0.508 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 4.0 mp0 -61.73 -30.54 70.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -81.09 -56.11 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.07 -36.29 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.354 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -69.67 -50.46 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.246 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 58.1 t -43.63 -41.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.128 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 93.2 t -74.71 -50.02 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -49.0 -34.91 14.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.877 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.19 -44.49 62.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 1.0 109.993 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 191' ' ' VAL . 56.3 tp -51.93 -45.07 64.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.836 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.31 87.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.769 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -59.28 -37.72 78.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.701 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.66 -30.74 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.867 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 187' ' ' LEU . 41.6 t -76.2 -49.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.054 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 12.2 p -54.23 -32.71 56.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.013 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -67.89 -34.75 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.113 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.06 86.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.252 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.78 -47.78 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.201 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.645 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -67.51 -50.05 60.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.273 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -60.72 -47.19 87.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.265 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.64 -33.61 76.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.319 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.99 -41.65 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.418 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.5 mp -48.9 -35.04 13.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.468 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.1 m -53.17 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.513 179.868 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 31' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -50.32 -34.61 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.667 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -75.26 -50.65 15.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 38' ' ' THR . 95.9 mt -58.58 -45.71 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.705 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.55 ' O ' ' OG1' ' A' ' 38' ' ' THR . 32.6 mt -57.54 -31.16 65.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.599 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.51 ' O ' HG12 ' A' ' 39' ' ' VAL . 57.3 ttm-85 -64.17 -41.06 97.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.759 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.713 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 61.7 p -66.9 -37.17 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.741 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.631 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -72.04 -25.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.719 -178.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.38 -44.85 61.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.707 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.24 -36.0 71.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' THR . 45.4 t -59.65 -53.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.744 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.8 ttp85 -51.16 -44.96 61.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.7 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.63 80.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.646 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.76 -41.6 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.55 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.37 -13.31 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.744 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.04 26.52 6.09 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 p -75.98 142.42 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 1.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -47.74 -45.16 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.798 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 44.2 ttt85 -145.86 137.32 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.883 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.66 132.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 175.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -137.67 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 1.0 111.142 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.585 HG22 ' CD1' ' A' ' 166' ' ' LEU . 62.2 t -101.08 140.01 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.861 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 165' ' ' LEU . 22.4 t80 -123.85 123.34 40.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.98 0.419 . . . . 1.0 111.188 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' CA ' ' A' ' 62' ' ' GLY . 16.5 ptm180 -103.96 144.91 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.971 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 132.74 47.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 1.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' GLY . 6.4 m-20 -96.78 155.52 37.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.475 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -38.66 -51.86 2.18 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.784 2.322 . . . . 1.0 112.113 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 97.3 mt-10 -70.18 -12.18 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 -178.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.598 ' C ' ' HB2' ' A' ' 84' ' ' ALA . . . 102.3 -6.24 53.09 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 50.2 p-80 -82.75 101.09 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 1.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -85.63 167.42 40.65 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.2 p -137.7 161.04 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 1.0 110.595 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 80' ' ' LEU . 14.9 p -95.09 110.35 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.585 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.3 t -109.88 -0.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.397 -177.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.631 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.6 126.94 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.522 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -161.81 141.12 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.517 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.7 144.12 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.632 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.39 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.83 139.35 14.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.43 44.59 3.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' GLY . 17.5 pt-20 33.18 31.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 1.0 110.59 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.0 ttm180 -69.24 -45.92 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.531 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.78 127.03 29.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.489 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.2 Cg_exo -49.49 156.75 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.816 2.344 . . . . 1.0 112.023 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' HH22 ' A' ' 50' ' ' ARG . 35.2 t -85.49 118.77 25.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.672 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.798 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 41.8 mt -100.83 7.29 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.463 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.404 HD21 HH12 ' A' ' 36' ' ' ARG . 21.5 tp -60.3 137.06 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.485 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.564 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -6.55 83.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 176.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.752 ' O ' HG12 ' A' ' 64' ' ' VAL . 81.6 mt -86.86 141.63 28.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 1.0 110.505 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 t -102.34 134.52 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -104.9 108.29 60.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.492 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 53.1 Cg_exo -47.21 145.05 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.771 2.314 . . . . 1.0 112.174 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.598 ' HB2' ' C ' ' A' ' 60' ' ' GLY . . . -64.95 -34.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.801 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.39 -19.15 0.67 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 35.0 p-10 -65.8 -31.01 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 1.0 110.475 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mm -113.14 132.57 22.34 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.56 -105.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -160.67 -49.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -53.32 -43.97 68.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.683 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.09 -37.87 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.825 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -63.37 -32.12 73.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 97' ' ' LEU . 95.1 mtt180 -64.84 -37.76 88.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.07 -37.19 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.6 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 76.0 m-85 -67.89 -34.91 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.676 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.466 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 27.7 ttm105 -88.34 -22.88 23.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.813 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' C ' HE22 ' A' ' 99' ' ' GLN . 67.9 mt -95.37 -50.67 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.156 -175.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.548 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -107.55 -14.65 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.238 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.74 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 44.05 55.17 5.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.838 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 99' ' ' GLN . 11.0 m -159.4 124.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.354 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -171.07 128.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.3 p -144.96 154.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.6 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.41 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 4.5 mt -106.75 127.03 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.626 HG12 ' N ' ' A' ' 105' ' ' ASP . 16.7 t -83.54 170.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 -177.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.626 ' N ' HG12 ' A' ' 104' ' ' VAL . 62.6 t0 -51.77 116.52 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG23 HG13 ' A' ' 140' ' ' VAL . 8.9 p -50.08 -17.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.62 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -74.43 -38.03 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.465 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -17.16 40.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.555 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 55.28 65.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.715 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 m -89.82 124.74 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.208 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 -111.36 131.66 55.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 1.0 110.934 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.475 ' OG ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.94 177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.956 0.408 . . . . 1.0 110.614 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.26 139.36 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.981 2.454 . . . . 1.0 112.288 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.68 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.399 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.2 m-20 -42.02 143.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.743 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.16 -11.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.985 2.457 . . . . 1.0 111.803 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -59.94 -40.04 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.606 179.17 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.03 -21.96 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.145 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.439 HG13 HG23 ' A' ' 106' ' ' VAL . 33.7 t -58.03 -63.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.256 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -66.16 -49.91 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -45.84 -43.41 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.74 -45.69 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -56.51 -45.81 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.5 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -64.33 -16.8 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.563 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.5 mmm -97.3 -1.59 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.05 72.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.56 142.25 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 1.0 110.72 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.27 -47.79 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.171 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.2 t -134.31 120.16 19.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.041 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.3 p -131.72 143.72 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.989 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 tp -101.76 134.73 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.118 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -113.82 127.3 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 1.0 110.937 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 166' ' ' LEU . 3.8 t -132.83 118.34 15.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.007 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 165' ' ' LEU . 73.8 Cg_endo -75.98 153.82 37.51 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.935 2.423 . . . . 1.0 112.751 -175.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.3 mt -116.83 109.75 17.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.121 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.535 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 17.9 ptm -134.49 158.96 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.382 . . . . 1.0 110.698 -174.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.669 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 31.0 t-80 -131.72 121.93 25.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.573 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 54.6 t60 65.01 -106.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.54 -4.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.522 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -102.74 149.53 24.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.619 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.8 tp -103.07 127.12 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.456 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -101.43 -43.63 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.652 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.21 -176.79 33.7 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.201 -0.76 . . . . 1.0 111.201 -176.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.7 mp -139.81 139.95 36.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.785 0.326 . . . . 1.0 110.649 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.585 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.0 tp -103.87 152.81 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.235 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.457 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.3 p -158.97 137.31 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 111.059 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.5 p -119.17 132.87 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.144 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -104.22 131.64 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 1.0 111.061 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -126.61 120.16 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.364 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.96 -23.09 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.645 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.74 163.12 17.82 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.53 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 174' ' ' ARG . 43.2 Cg_endo -69.69 -88.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.807 2.338 . . . . 1.0 112.239 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' PRO . 12.5 tpt180 58.7 120.62 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.74 165.05 27.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.895 2.397 . . . . 1.0 112.179 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -106.81 145.19 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 10.6 t -89.92 153.3 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.651 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.26 -31.8 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.437 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -87.28 -48.3 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.416 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.4 -28.14 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.401 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.4 tp -76.24 -46.91 25.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.286 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.66 -53.31 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.8 p -45.35 -40.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.006 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.486 ' N ' ' CG1' ' A' ' 183' ' ' VAL . 55.5 t -71.99 -51.74 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.176 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.09 -29.46 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.987 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -44.72 65.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.96 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 86.0 mt -51.32 -45.62 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.754 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.45 98.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.831 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.666 ' O ' HD13 ' A' ' 193' ' ' ILE . 53.6 t0 -62.12 -40.5 96.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.773 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.8 -29.26 70.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.0 109.86 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.4 t -77.3 -47.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 13.5 p -54.26 -35.53 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.949 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 189' ' ' ASP . 1.3 mp -66.45 -35.81 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.129 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.261 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.5 mt -55.98 -49.01 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.21 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.669 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -66.06 -49.55 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.23 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.91 -48.07 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.335 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.309 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -52.19 -41.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.393 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.01 -33.94 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.389 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.4 m -52.02 -60.07 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 202' ' ' LEU . 9.8 mp . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 66.1 t0 -51.97 -33.56 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.13 -49.47 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 38' ' ' THR . 95.5 mt -60.42 -46.06 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' OG1' ' A' ' 38' ' ' THR . 22.3 mt -58.18 -32.13 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.699 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.54 ' O ' HG12 ' A' ' 39' ' ' VAL . 36.3 mtp180 -68.44 -39.21 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.04 -25.49 58.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.739 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 34' ' ' ILE . 34.2 p -69.74 -38.1 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.684 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.664 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -68.78 -25.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.717 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -78.57 -37.95 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.72 -54.15 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.718 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 43' ' ' ARG . 26.1 m -53.57 -47.83 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.729 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' N ' ' A' ' 47' ' ' GLY . 43.3 ttt180 -52.07 -45.95 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.56 62.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -67.94 -35.49 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.58 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.41 -14.6 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.545 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.01 27.15 6.47 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.561 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 12.8 p -76.28 142.63 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 1.0 110.608 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.78 -45.82 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.689 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 43.4 ttt180 -143.24 134.46 25.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.874 -175.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 10.8 t -139.81 130.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.826 -0.624 . . . . 1.0 109.965 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 147.4 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 1.0 111.116 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 66' ' ' ALA . 63.1 t -98.23 138.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.862 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.0 t80 -116.34 115.01 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.092 0.473 . . . . 1.0 111.196 -177.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -91.67 130.17 37.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.001 179.17 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.422 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 3.9 t80 -98.03 128.98 44.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.905 0.383 . . . . 1.0 110.964 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 4.6 m-20 -91.82 151.17 41.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.476 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.5 -19.54 36.91 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.871 2.381 . . . . 1.0 112.123 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.56 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.66 -17.27 59.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 73.1 m80 -77.49 150.08 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 1.0 110.673 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -136.71 159.32 24.49 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.6 p -135.14 158.79 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 1.0 110.585 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -90.12 107.5 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.636 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -104.46 -5.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -154.91 126.13 7.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.512 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.615 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.8 tt0 -158.62 139.23 12.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.44 134.64 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.616 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -114.17 140.62 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.607 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' HA2' HH22 ' A' ' 43' ' ' ARG . . . -99.2 137.92 13.55 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.03 34.89 0.33 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.67 16.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.355 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 63.6 ttt180 -53.29 -46.52 69.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.529 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.82 148.75 36.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.547 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.658 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 39.8 Cg_endo -67.6 157.31 62.34 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.815 2.343 . . . . 1.0 112.002 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 t -89.0 119.51 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.727 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.689 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 21.0 mt -103.12 8.8 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 tp -62.55 139.27 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.545 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.33 81.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 80' ' ' LEU . 86.4 mt -86.33 145.96 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.53 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 81' ' ' THR . 14.3 t -104.43 132.54 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -100.38 139.19 20.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.87 137.08 28.87 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.721 2.281 . . . . 1.0 112.126 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.92 84.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.05 -19.06 3.37 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -69.62 -27.82 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 1.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PRO . 5.7 mt -114.98 91.1 25.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.632 ' O ' ' O ' ' A' ' 87' ' ' ILE . 75.0 Cg_exo -37.4 -113.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.878 2.385 . . . . 1.0 112.166 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.45 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.8 tt0 -159.04 -53.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.633 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -48.32 -41.9 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.708 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.99 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.798 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -63.95 -33.94 76.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.638 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 64.8 mmt-85 -63.31 -37.1 85.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -35.15 74.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 55.7 m-85 -67.76 -34.83 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.609 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 36.6 ttm180 -88.95 -19.44 25.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.812 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.546 ' C ' HE22 ' A' ' 99' ' ' GLN . 70.7 mt -93.47 -51.76 4.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.208 -176.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.81 -11.13 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.18 -172.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.766 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.1 OUTLIER 44.65 48.85 8.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.837 -178.406 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 24.2 t -155.41 115.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.36 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 5.4 mtp85 -169.37 128.61 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.496 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.4 p -145.09 155.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.612 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 51.6 mt -106.57 129.32 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.53 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.3 p -84.89 173.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.422 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.692 ' H ' HG22 ' A' ' 104' ' ' VAL . 65.5 t0 -51.99 117.84 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.582 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 140' ' ' VAL . 11.3 p -51.93 -20.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.556 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.12 -39.64 82.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.435 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.03 -12.1 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.54 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 52.54 69.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 p -94.52 122.62 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.197 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -110.64 135.93 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.028 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.535 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.1 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.897 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.877 0.37 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.81 139.8 17.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.894 2.396 . . . . 1.0 112.28 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 139' ' ' HIS . 3.2 p -108.05 126.42 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.412 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.535 ' N ' ' OG ' ' A' ' 112' ' ' SER . 13.5 t70 -38.01 137.61 0.73 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -47.34 -43.34 26.71 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.95 2.433 . . . . 1.0 111.706 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -52.85 -30.06 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.56 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.486 ' HB3' HG22 ' A' ' 135' ' ' VAL . 1.0 OUTLIER -88.25 -27.76 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.112 177.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.554 HG13 HG23 ' A' ' 106' ' ' VAL . 86.3 t -59.37 -50.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.225 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -63.53 -46.56 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.1 -43.84 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.3 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.17 -45.41 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -53.97 -44.31 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.7 m -64.18 -17.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.57 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.6 mmm -96.19 -4.67 42.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.89 20.81 72.71 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.6 136.1 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 1.0 110.62 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.09 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.1 m -130.41 114.92 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.006 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.5 m -131.38 143.73 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.023 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 mt -102.2 130.53 48.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.012 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.97 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.01 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 166' ' ' LEU . 42.8 t -108.89 123.01 38.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.969 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.11 156.01 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.883 2.388 . . . . 1.0 112.807 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.9 mt -116.25 108.87 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.611 . . . . 1.0 110.183 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.5 ptm -136.01 161.0 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 1.0 110.719 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.554 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 54.9 t-80 -143.38 122.39 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 0.8 OUTLIER 77.0 -114.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.546 -177.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -117.74 -4.8 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.482 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -106.41 158.74 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.63 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.407 ' HB2' ' HE ' ' A' ' 96' ' ' ARG . 25.3 tp -108.51 129.46 55.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.447 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -100.52 -41.93 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.88 -176.3 33.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.158 -0.777 . . . . 1.0 111.158 -177.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.6 mp -138.72 139.56 38.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 1.0 110.647 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.555 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.2 tp -104.74 153.49 21.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.152 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.429 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 11.3 p -160.98 138.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 1.0 111.081 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 48' ' ' THR . 89.8 p -116.56 137.34 52.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.121 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -106.17 127.94 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 1.0 111.032 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.416 ' HE2' ' HD3' ' A' ' 174' ' ' ARG . 1.6 t-80 -125.09 119.7 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.393 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.95 -22.27 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.72 156.24 43.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.526 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.47 -81.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.807 2.338 . . . . 1.0 112.172 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.416 ' HD3' ' HE2' ' A' ' 170' ' ' HIS . 55.7 mtp85 50.64 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.408 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.45 164.95 1.77 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.863 2.375 . . . . 1.0 112.216 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -109.69 148.3 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 17.0 t -88.3 151.15 22.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.629 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.95 -27.8 68.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.427 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -81.16 -56.12 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.73 -37.06 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.364 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.25 -46.61 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.324 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -70.74 -51.27 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.199 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.3 t -44.35 -42.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 71.2 t -72.68 -49.98 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.169 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -46.83 -31.34 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.979 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.4 -46.17 70.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.904 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.92 -43.91 60.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.822 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.83 84.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.79 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.96 -38.26 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.796 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.01 -32.93 73.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.92 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.5 -49.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.036 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -33.46 52.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 1.0 109.944 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.5 mt -66.65 -33.96 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.129 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.37 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.265 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.7 mt -54.3 -57.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.257 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.554 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -63.35 -48.38 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.277 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -60.6 -47.18 87.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.259 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.2 77.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.355 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -50.87 -38.76 51.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 53.8 mt -48.19 -32.94 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 78.7 p -51.33 -59.57 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.455 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.523 179.802 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -54.25 -32.24 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.69 -49.79 15.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.7 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 38' ' ' THR . 96.6 mt -57.37 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.659 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.688 HD22 HH12 ' A' ' 55' ' ' ARG . 89.8 mt -56.47 -32.48 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.67 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.539 ' O ' HG12 ' A' ' 39' ' ' VAL . 69.4 ttt180 -64.06 -40.95 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.52 -26.84 58.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.751 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 34' ' ' ILE . 74.4 p -68.4 -36.75 79.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.66 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.704 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -71.32 -26.62 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.702 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.13 -40.09 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.659 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.94 -53.13 9.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.732 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.634 HG13 ' N ' ' A' ' 43' ' ' ARG . 11.3 p -52.62 -47.83 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.75 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.4 ttt-85 -53.83 -44.89 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.26 -41.66 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.612 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -65.83 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.57 -12.85 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.491 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.9 27.28 4.79 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 13.2 p -76.2 144.17 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 1.0 110.629 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -45.04 -45.84 11.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.679 ' HE ' ' CE1' ' A' ' 169' ' ' HIS . 11.1 ptt180 -147.33 145.53 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.874 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 30.0 t -144.78 133.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.977 175.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HZ3' HD12 ' A' ' 77' ' ' LEU . 40.7 mttt -136.03 149.22 48.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 111.189 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 166' ' ' LEU . 51.3 t -100.18 137.61 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.911 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.477 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 27.7 t80 -117.72 114.34 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.397 . . . . 1.0 111.226 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.688 HH12 HD22 ' A' ' 35' ' ' LEU . 6.5 mmp_? -94.65 137.89 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.93 140.31 36.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 1.0 110.929 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' HIS . 35.8 m-20 -99.85 151.53 37.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.532 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.77 -20.21 16.67 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.842 2.362 . . . . 1.0 112.068 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.47 1.96 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 -15.93 61.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 57' ' ' ASP . 33.8 m80 -75.36 146.69 40.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 1.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.84 156.07 21.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 157.67 45.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 1.0 110.563 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.46 108.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.21 -2.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.438 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.704 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.58 125.71 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -157.32 138.41 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.461 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.75 143.78 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.657 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -124.96 140.84 52.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.58 141.7 15.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.629 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.41 44.15 3.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 71' ' ' GLY . 18.0 pt-20 32.63 29.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 1.0 110.61 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.1 tpp85 -66.71 -44.12 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.437 HD13 HH11 ' A' ' 50' ' ' ARG . 25.7 mt -117.22 146.36 38.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.41 166.41 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.792 2.328 . . . . 1.0 111.973 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -97.7 126.8 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.727 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.595 HD12 ' HZ3' ' A' ' 52' ' ' LYS . 17.7 mt -96.28 11.75 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.75 134.63 57.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.489 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -10.35 70.5 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 77' ' ' LEU . 65.1 mt -83.93 145.09 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 1.0 110.52 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 p -107.41 139.06 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.392 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -108.16 141.28 22.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.424 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -72.19 137.02 27.95 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.754 2.303 . . . . 1.0 112.154 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -62.89 -35.79 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.804 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.17 -17.26 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 84' ' ' ALA . 92.6 m-20 -70.11 -27.22 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.0 110.511 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.7 mm -113.69 101.46 53.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.4 Cg_exo -44.77 -116.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.894 2.396 . . . . 1.0 112.092 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.7 tt0 -156.11 -54.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -46.87 -43.36 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.5 -46.51 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.764 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -54.39 -34.0 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.64 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -64.21 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.541 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.5 ' CD1' HH21 ' A' ' 133' ' ' ARG . 27.9 mt -60.91 -35.51 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 -177.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 32.2 m-85 -68.52 -30.81 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.658 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.568 ' C ' HE21 ' A' ' 99' ' ' GLN . 48.7 ttp180 -91.94 -21.66 20.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.793 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 75.9 mt -92.0 -49.42 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.222 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.23 -12.4 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.251 -173.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 13.8 mp0 43.52 57.66 3.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.844 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 99' ' ' GLN . 6.5 m -157.96 124.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.409 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 101' ' ' ARG . 1.1 tpm_? -165.16 128.51 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.49 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.38 151.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.575 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.2 mt -113.94 129.41 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 105' ' ' ASP . 7.6 t -87.57 174.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.437 -176.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.732 ' H ' HG12 ' A' ' 104' ' ' VAL . 29.9 m-20 -50.79 117.77 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.576 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 106' ' ' VAL . 25.5 t -50.71 -14.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.53 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.2 tt0 -67.12 -40.85 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.393 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.41 1.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.483 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' A' ' 107' ' ' GLU . 14.0 pt20 37.44 70.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 p -89.67 123.5 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.256 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -111.52 140.38 46.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.997 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.456 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.864 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.5 HH21 ' CD1' ' A' ' 94' ' ' LEU . 22.2 tpt85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.836 0.35 . . . . 1.0 110.551 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.427 ' O ' ' OG ' ' A' ' 112' ' ' SER . 76.4 Cg_exo -48.65 141.61 20.05 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.018 2.479 . . . . 1.0 112.266 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 135' ' ' VAL . 13.8 m -115.63 130.68 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.396 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.456 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -41.48 154.67 0.23 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.797 178.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.49 -12.32 10.69 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.985 2.456 . . . . 1.0 111.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.56 -40.09 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.64 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -84.0 -27.99 28.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.079 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -55.61 -64.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.249 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -56.73 -41.7 77.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.409 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 146' ' ' MET . 76.3 t80 -49.23 -46.6 46.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.3 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.82 -48.89 43.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -56.94 -45.52 82.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -64.17 -18.0 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.569 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 19.1 mmm -97.11 -2.58 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.86 22.74 65.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.454 ' CG2' ' NH1' ' A' ' 50' ' ' ARG . 74.1 t -107.41 139.69 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.664 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.08 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.171 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.4 t -135.27 123.1 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.063 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.2 t -132.3 141.01 48.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.972 0.415 . . . . 1.0 110.984 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 176' ' ' TYR . 1.8 tp -100.37 135.77 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.045 177.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 167' ' ' VAL . 48.6 t -113.47 126.36 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 1.0 110.98 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 t -129.65 113.85 17.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.981 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.3 152.02 43.98 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.891 2.394 . . . . 1.0 112.849 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.587 HD12 HH21 ' A' ' 55' ' ' ARG . 42.7 mt -116.74 110.6 18.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.079 178.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.522 ' N ' ' OG ' ' A' ' 192' ' ' SER . 11.1 ptm -135.67 153.91 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 1.0 110.704 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.471 ' ND1' ' CB ' ' A' ' 196' ' ' ALA . 80.0 t60 -122.42 122.39 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.515 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.467 ' C ' ' NE2' ' A' ' 160' ' ' GLN . 6.4 m-70 59.38 -102.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.525 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.467 ' NE2' ' C ' ' A' ' 159' ' ' HIS . 11.6 mp0 -116.74 -7.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.485 -177.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.83 148.78 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.626 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.67 124.87 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.437 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.421 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 76.9 m95 -101.48 -42.87 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.683 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.45 -175.89 33.95 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.153 -0.779 . . . . 1.0 111.153 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.5 143.43 35.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.814 0.34 . . . . 1.0 110.707 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.576 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -107.59 153.4 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.424 HG23 HG22 ' A' ' 153' ' ' VAL . 10.7 p -160.53 138.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 1.0 111.017 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 41.7 m -120.49 140.63 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.136 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.679 ' CE1' ' HE ' ' A' ' 50' ' ' ARG . 8.0 m80 -118.25 137.72 52.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.012 -178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.505 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.3 t-80 -131.11 132.4 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.39 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.505 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -62.14 -23.47 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.64 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.09 151.44 49.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.556 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.43 -72.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.882 2.388 . . . . 1.0 112.209 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.828 ' HE ' ' H ' ' A' ' 174' ' ' ARG . 0.0 OUTLIER 47.8 75.83 0.62 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.97 172.67 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.796 2.33 . . . . 1.0 112.274 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.408 ' CD1' HD13 ' A' ' 152' ' ' LEU . 96.2 m-85 -118.39 139.6 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.429 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 11.3 m -84.0 151.74 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.64 -28.37 68.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.455 ' OE2' ' CG1' ' A' ' 183' ' ' VAL . 5.7 tm-20 -85.22 -53.03 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.463 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.38 -25.85 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.394 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.56 -38.26 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.363 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -70.82 -57.57 4.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.244 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.455 ' CG1' ' OE2' ' A' ' 179' ' ' GLU . 19.3 m -47.73 -36.17 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.142 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 29.4 t -73.27 -53.14 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.138 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -45.97 -35.52 4.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.97 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.09 -39.3 72.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.925 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 8.5 tp -53.66 -46.48 70.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.833 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.848 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -56.53 -33.9 66.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 1.0 109.738 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -73.27 -28.39 62.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.809 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 -50.25 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.054 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.4 t -51.66 -27.97 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.949 177.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 47.1 mt -75.96 -31.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.105 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.33 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.285 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 196' ' ' ALA . 21.6 pt -68.97 -27.64 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.24 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.471 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -74.89 -53.68 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.202 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.4 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 1.8 pt20 -67.3 -36.98 82.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.305 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -66.57 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.305 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -52.62 -41.35 63.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.489 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 47.8 mt -47.95 -29.14 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 96.6 p -54.98 -58.64 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.44 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.542 179.554 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.76 0.314 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -48.97 -34.21 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.593 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.24 -49.79 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 38' ' ' THR . 5.0 mm -58.84 -46.24 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.611 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' ' OG1' ' A' ' 38' ' ' THR . 39.9 mt -57.65 -32.44 67.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.615 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 39' ' ' VAL . 46.8 ttp180 -64.77 -40.79 95.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.795 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -26.03 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.71 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.2 p -69.38 -36.4 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.673 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.711 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.1 p -72.33 -24.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.699 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -74.67 -47.72 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.737 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 85.1 tt0 -70.38 -43.07 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.73 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 38' ' ' THR . 44.4 t -53.27 -55.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' A' ' 47' ' ' GLY . 65.4 ttt-85 -49.0 -42.06 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.717 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 41' ' ' GLU . . . -55.1 -45.38 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.648 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.44 -39.07 93.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.55 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.7 -12.0 28.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.541 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.36 25.76 3.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 17.5 p -76.55 145.72 38.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 1.0 110.552 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -42.35 -48.41 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.453 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.477 HH21 HG21 ' A' ' 148' ' ' VAL . 26.0 ptt180 -151.0 145.55 25.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.859 -177.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 12.3 t -142.27 135.16 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.964 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HZ1' ' HD2' ' A' ' 50' ' ' ARG . 27.3 mttm -136.17 149.86 48.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 1.0 111.192 -176.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.699 HG22 ' CD1' ' A' ' 166' ' ' LEU . 47.2 t -100.69 137.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.846 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.4 t80 -117.63 118.68 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 1.0 111.227 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -103.47 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.009 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.612 ' CG ' ' NH2' ' A' ' 92' ' ' ARG . 19.5 m-85 -102.58 146.82 27.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 1.0 110.869 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.0 m-20 -102.03 150.84 37.81 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.65 -22.44 1.82 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.784 2.323 . . . . 1.0 112.132 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -98.03 0.47 46.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.526 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.39 -14.08 61.09 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.597 ' O ' ' N ' ' A' ' 57' ' ' ASP . 21.0 m80 -71.98 144.01 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 1.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.86 152.69 19.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 p -133.94 157.2 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 1.0 110.541 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -89.79 108.0 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -104.52 -4.02 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.03 124.92 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.601 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.1 tm-20 -156.76 139.55 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.452 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.2 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.607 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -122.48 140.83 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.584 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.08 140.91 15.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.98 34.93 0.6 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 42.45 18.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.616 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.0 tpm_? -53.67 -44.27 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.594 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.93 149.1 48.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.593 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.18 166.29 23.71 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.839 2.359 . . . . 1.0 112.059 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 67' ' ' GLU . 26.0 t -99.09 131.67 44.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.629 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 80' ' ' LEU . 21.3 mt -98.86 14.79 27.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 79' ' ' GLY . 0.6 OUTLIER -68.0 134.99 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 -177.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.481 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 86.54 -10.71 66.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 77' ' ' LEU . 76.1 mt -83.76 148.71 26.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 1.0 110.526 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 p -107.95 136.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.74 139.26 19.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.463 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -71.49 139.3 34.18 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.815 2.343 . . . . 1.0 112.092 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.774 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.04 -19.22 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.56 -9.84 55.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 1.0 110.561 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.9 mt -136.96 132.14 18.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.615 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.46 -102.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.882 2.388 . . . . 1.0 112.097 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -170.47 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -50.58 -46.05 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.707 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.17 76.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.612 ' NH2' ' CG ' ' A' ' 56' ' ' PHE . 76.7 ttt180 -64.72 -32.35 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.637 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' LEU . 65.4 mtp85 -63.96 -38.58 91.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.539 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 10.7 mt -58.57 -36.45 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.547 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 66.2 m-85 -68.47 -28.54 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.724 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -95.05 -23.3 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.57 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 65.0 mt -91.22 -49.26 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.149 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.5 -10.53 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.163 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 7.0 mp0 41.59 58.37 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.807 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.5 p -160.63 122.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.36 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.629 HH22 ' CG1' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -169.11 129.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 152.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.596 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.629 ' CG1' HH22 ' A' ' 101' ' ' ARG . 5.4 mt -108.69 128.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.571 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.686 HG22 ' H ' ' A' ' 105' ' ' ASP . 5.5 p -85.25 172.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.471 -177.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 104' ' ' VAL . 56.8 m-20 -51.69 117.76 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.442 HG23 ' CG1' ' A' ' 140' ' ' VAL . 12.2 p -51.03 -18.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.605 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -72.67 -37.73 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -14.6 8.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.524 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 53.74 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.729 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.7 m -93.95 124.18 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.28 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.7 ptt-85 -111.4 138.35 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.968 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.533 ' OG ' ' C ' ' A' ' 134' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.871 178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.949 0.404 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.533 ' C ' ' OG ' ' A' ' 112' ' ' SER . 71.7 Cg_endo -76.98 139.75 19.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.02 2.48 . . . . 1.0 112.317 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' A' ' 112' ' ' SER . 2.3 m -120.58 132.01 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.443 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -37.29 152.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.711 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.03 -33.58 95.31 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.96 2.44 . . . . 1.0 111.816 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -61.84 -31.14 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.535 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.442 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 14.2 t-80 -87.49 -31.0 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.115 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 136' ' ' ASP . 95.0 t -61.42 -47.43 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.231 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.42 ' CE1' ' OG ' ' A' ' 145' ' ' SER . 43.2 t-80 -65.47 -45.94 81.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -45.87 -38.44 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.305 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.01 -40.95 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.466 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -57.77 -45.32 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.532 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 34.4 m -63.28 -16.4 60.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.4 mmm -96.17 -0.19 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.473 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.57 19.69 77.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.477 HG21 HH21 ' A' ' 50' ' ' ARG . 96.7 t -104.34 140.08 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 1.0 110.678 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.49 -53.24 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.16 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.2 t -130.86 116.63 18.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.061 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.4 t -130.8 142.98 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 1.0 110.921 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.3 tp -101.56 132.7 47.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.076 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.87 129.26 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 1.0 111.039 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 t -133.29 121.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.995 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.57 150.62 24.85 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.92 2.413 . . . . 1.0 112.81 -175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.3 108.27 17.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.058 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.5 ptm -136.81 162.92 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 1.0 110.684 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.533 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 77.9 t60 -145.84 121.89 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 58.0 t60 79.05 -114.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.487 -177.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -118.01 -3.01 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.467 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.29 159.6 16.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.604 -176.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.403 HD23 ' HE ' ' A' ' 92' ' ' ARG . 29.6 tp -107.28 129.5 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.461 177.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -100.05 -44.01 6.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.93 -176.22 30.73 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -138.84 133.92 32.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 1.0 110.73 -179.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.699 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.7 tp -104.51 153.82 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.205 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.5 p -163.44 139.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 1.0 111.024 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 25.9 p -117.15 135.62 53.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.2 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -112.52 135.41 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 1.0 110.984 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -127.99 135.66 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.37 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.463 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -89.2 30.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.647 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 9.9 mp0 -154.29 135.03 8.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.5 111.87 3.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.795 2.33 . . . . 1.0 112.223 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -147.82 142.59 16.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.37 150.73 37.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.85 2.367 . . . . 1.0 112.146 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -104.69 155.09 19.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.442 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.9 t -90.8 150.5 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.617 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.95 -29.75 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.422 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -77.45 -47.24 20.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.455 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.9 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.331 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -70.3 -53.71 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.195 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 60.1 t -43.61 -43.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.05 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.49 -50.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -49.35 -38.11 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.935 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.42 -44.24 62.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.93 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 187' ' ' LEU . 2.5 tt -51.35 -45.88 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.849 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.761 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.94 -35.96 76.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.737 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.26 -29.09 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.889 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.36 -48.95 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.064 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.6 p -54.02 -32.96 55.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.012 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.61 -33.05 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.077 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.65 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.301 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.9 mt -55.22 -55.29 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.533 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -64.34 -48.23 76.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.273 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.0 -46.91 88.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.268 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.69 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.336 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -51.48 -40.08 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.426 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 200' ' ' LEU . 36.4 mt -47.78 -30.9 4.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.445 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 78.9 p -51.2 -59.27 4.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.549 179.627 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.8 p-10 -53.29 -31.52 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.582 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.8 tp-100 -77.45 -47.14 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 38' ' ' THR . 22.1 mm -58.38 -49.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' O ' ' OG1' ' A' ' 38' ' ' THR . 81.4 mt -59.18 -33.77 71.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.654 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.664 ' O ' HG12 ' A' ' 39' ' ' VAL . 52.9 mtp85 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.769 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -26.26 60.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.733 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.5 p -68.37 -33.87 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.666 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.744 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.9 p -71.27 -28.32 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.693 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -79.47 -43.52 23.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.658 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.69 -53.1 30.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.694 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 43' ' ' ARG . 7.1 p -51.93 -45.73 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.77 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.745 ' O ' ' N ' ' A' ' 47' ' ' GLY . 63.4 ttt180 -47.75 -43.69 27.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.744 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.39 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.517 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 48' ' ' THR . 5.1 mt -95.44 -11.29 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.47 -178.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.745 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.22 27.27 1.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 46' ' ' LEU . 2.9 p -75.98 142.89 41.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.827 0.346 . . . . 1.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 94.2 m-20 -50.87 -40.83 57.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.452 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.753 HH22 ' HE ' ' A' ' 73' ' ' ARG . 5.7 mtt-85 -146.21 137.76 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.914 -176.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 7.8 p -145.91 132.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.962 175.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HZ2' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mttm -134.76 148.53 50.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 1.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.81 HG22 ' CD1' ' A' ' 166' ' ' LEU . 22.2 t -102.11 139.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.861 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.3 t80 -121.98 122.95 40.51 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.716 -0.393 . . . . 1.0 111.209 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -102.92 142.05 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.987 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.638 ' CZ ' ' NH1' ' A' ' 92' ' ' ARG . 16.1 m-85 -103.31 144.59 31.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 1.0 110.946 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.1 m-20 -102.05 148.95 36.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.41 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.29 -21.2 1.78 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -95.15 2.29 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.634 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.88 62.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.595 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.4 m80 -75.48 147.29 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 1.0 110.615 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.24 158.04 23.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -134.31 157.98 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 1.0 110.577 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 80' ' ' LEU . 10.0 p -92.86 109.65 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.636 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.27 -0.1 10.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.397 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.74 124.95 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.596 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 72.1 tt0 -152.96 138.01 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.461 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.25 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.642 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -127.46 144.3 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.643 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.6 148.11 16.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.92 30.62 0.38 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 43.09 16.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.578 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HE ' HH22 ' A' ' 50' ' ' ARG . 18.3 ttp180 -52.23 -37.93 56.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.591 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD12 ' HD2' ' A' ' 75' ' ' PRO . 10.4 tp -116.23 131.91 23.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD2' HD12 ' A' ' 74' ' ' LEU . 21.1 Cg_endo -59.54 145.64 97.45 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.779 2.32 . . . . 1.0 112.039 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.1 p -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.639 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.587 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 mt -96.67 6.05 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.519 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.535 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.8 tp -57.6 136.96 56.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.553 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -7.65 81.33 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.742 ' O ' HG12 ' A' ' 64' ' ' VAL . 81.9 mt -86.66 141.59 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 1.0 110.529 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -103.3 136.41 43.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.57 137.77 19.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.497 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.64 144.73 40.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.74 2.293 . . . . 1.0 112.145 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.33 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.813 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.92 -17.23 1.46 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -145.88 100.58 4.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.606 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 95.1 Cg_exo -41.74 -93.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.899 2.399 . . . . 1.0 112.074 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.468 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.8 tt0 -173.41 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.556 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -52.96 -45.07 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.65 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.04 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.791 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.638 ' NH1' ' CZ ' ' A' ' 56' ' ' PHE . 33.7 mtp85 -65.89 -32.9 74.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.686 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -63.49 -39.19 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.556 HD13 HH12 ' A' ' 101' ' ' ARG . 12.7 mt -57.21 -36.09 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.636 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 70.2 m-85 -70.01 -28.88 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.662 ' C ' HE22 ' A' ' 99' ' ' GLN . 64.0 mtp180 -84.44 -24.87 29.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.862 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.822 ' N ' HE22 ' A' ' 99' ' ' GLN . 66.7 mt -106.47 -45.11 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.15 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -94.89 -24.88 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.205 -173.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.918 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 41.92 55.41 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.829 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.565 ' O ' ' NE ' ' A' ' 101' ' ' ARG . 7.7 p -167.97 127.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.357 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.58 ' CZ ' ' NH1' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -170.31 132.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.462 177.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -147.41 153.65 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.629 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -108.94 128.69 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 105' ' ' ASP . 4.5 p -84.45 173.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.47 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.689 ' H ' HG22 ' A' ' 104' ' ' VAL . 66.0 t0 -51.15 117.6 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.531 HG23 ' CG1' ' A' ' 140' ' ' VAL . 13.3 p -50.63 -18.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.533 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -69.79 -38.62 76.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.425 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.54 -13.56 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.584 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 52.36 69.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -95.99 123.3 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.271 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -111.59 142.11 44.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.481 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.855 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.58 ' NH1' ' CZ ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.866 0.365 . . . . 1.0 110.549 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.9 142.08 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.923 2.415 . . . . 1.0 112.279 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 135' ' ' VAL . 9.9 m -120.37 131.97 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.437 177.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.481 ' HA ' ' H ' ' A' ' 112' ' ' SER . 30.3 p-10 -39.95 137.76 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.745 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -42.42 -33.56 2.7 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.98 2.454 . . . . 1.0 111.727 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.3 OUTLIER -60.99 -35.19 76.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.658 -178.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.473 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 26.4 t-80 -84.05 -30.09 26.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.153 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 106' ' ' VAL . 46.6 t -57.78 -55.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.217 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -60.55 -44.0 96.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.358 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -44.97 -42.81 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.283 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.17 -42.57 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.386 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -57.16 -44.64 83.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.496 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -64.61 -16.66 63.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.535 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 38.9 mmm -96.68 -1.85 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.498 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.34 21.26 70.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 39.1 t -110.56 142.82 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.72 -47.39 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.9 p -131.75 117.47 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.083 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 36.2 p -131.41 144.38 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.007 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -102.95 134.44 46.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 19.8 t -110.92 128.85 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.003 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.3 117.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.967 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.02 150.93 30.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 1.0 112.796 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -113.78 108.48 17.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.145 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 ptm -136.56 157.2 47.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 1.0 110.643 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.625 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 43.1 t-80 -139.02 121.79 16.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.487 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.1 t60 78.11 -114.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.559 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -117.49 -2.41 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.498 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -107.89 158.97 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.607 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 30.2 tp -106.41 130.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -100.26 -44.59 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.688 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.77 -176.36 30.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -139.01 134.6 33.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 1.0 110.671 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.81 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.6 tp -104.18 153.69 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.206 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.1 p -161.6 137.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 1.0 111.049 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.3 p -115.98 138.94 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.129 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -108.88 130.27 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.006 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.463 ' CE1' ' HE ' ' A' ' 174' ' ' ARG . 0.5 OUTLIER -124.9 127.72 47.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.388 177.557 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -90.22 29.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.687 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 27.9 mt-10 -158.58 150.33 17.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.34 84.28 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.767 2.311 . . . . 1.0 112.214 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.463 ' HE ' ' CE1' ' A' ' 170' ' ' HIS . 57.9 ttm-85 -118.72 91.58 42.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 1.0 110.394 -179.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.34 162.21 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 1.0 112.218 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -105.66 142.71 34.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.452 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 30.4 t -89.53 153.41 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -57.35 -34.79 69.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.442 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.33 -54.95 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.459 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.71 -31.74 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.413 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 181' ' ' LEU . 1.4 tt -52.01 -56.89 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -62.13 -48.56 79.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.158 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.51 -50.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.067 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.85 -52.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.091 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.42 -38.38 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.0 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 6.2 tt -74.0 -46.16 45.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.96 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.8 tp -51.45 -45.02 62.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.778 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.69 84.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.762 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -59.34 -37.65 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.694 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.31 -31.94 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.867 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.53 -49.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.035 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.0 p -52.95 -31.35 39.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.938 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.63 -33.93 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.124 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.57 83.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.85 -48.49 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.205 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -65.55 -48.86 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.26 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.32 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.231 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.7 74.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.29 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -53.92 -43.93 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.398 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 45.4 mt -48.73 -35.29 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -53.18 -59.82 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.534 179.59 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -48.45 -34.42 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.665 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 26.3 mp0 -76.55 -49.78 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.695 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.67 -42.74 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.63 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 38' ' ' THR . 28.3 mt -61.36 -31.65 71.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.581 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.772 ' O ' HG12 ' A' ' 39' ' ' VAL . 67.8 ttp85 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.761 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.65 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.692 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 35' ' ' LEU . 1.5 t -72.12 -32.68 67.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.4 p -70.01 -22.93 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.13 -42.64 59.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.87 -39.86 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 38' ' ' THR . 58.1 t -53.7 -54.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.732 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.715 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.4 ttt-85 -49.6 -42.65 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.749 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.24 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.651 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.01 -41.34 97.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.54 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -94.79 -11.76 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.45 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.05 25.6 2.6 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 12.3 t -76.09 145.42 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 1.0 110.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -41.27 -49.01 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.491 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.488 HH22 ' CE ' ' A' ' 146' ' ' MET . 39.7 ptt180 -151.68 147.0 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.909 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.0 p -144.94 134.15 18.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 176.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 pttt -137.01 151.62 49.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 1.0 111.172 -175.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.574 HG22 ' CD1' ' A' ' 166' ' ' LEU . 59.5 t -100.24 138.3 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.867 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 165' ' ' LEU . 15.9 t80 -121.91 121.9 38.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 1.0 111.186 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -102.66 142.8 33.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.047 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.06 140.69 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 1.0 110.897 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.1 m-20 -100.26 151.1 37.44 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.495 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -42.14 -44.11 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.757 2.304 . . . . 1.0 112.11 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.2 -9.32 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.558 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.81 -8.87 43.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 18.1 m80 -74.46 145.99 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 1.0 110.632 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -131.28 155.03 21.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 HG22 ' A' ' 81' ' ' THR . 7.9 p -134.63 157.49 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.02 109.12 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.672 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 t -105.09 -2.25 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.41 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.68 130.4 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -164.14 141.18 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.18 148.15 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.646 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -135.77 146.17 47.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.626 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.87 149.05 16.72 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 42.58 31.57 1.09 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 42.29 17.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.661 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.1 ttm180 -57.87 -41.88 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.1 mt -116.66 117.91 37.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.593 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.36 168.15 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.774 2.316 . . . . 1.0 112.077 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -98.94 123.32 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.643 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 80' ' ' LEU . 18.7 mt -94.16 10.38 34.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -57.46 133.78 55.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.467 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.66 -12.01 66.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 77' ' ' LEU . 72.9 mt -82.52 143.33 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 1.0 110.5 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.412 HG22 HG22 ' A' ' 63' ' ' THR . 68.1 p -111.82 148.55 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.459 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 20.9 m-85 -118.27 148.13 43.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.5 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.448 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 40.6 Cg_endo -74.22 138.65 25.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.689 2.259 . . . . 1.0 112.124 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.756 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.73 -17.45 2.13 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 24.7 p-10 -73.35 -9.63 58.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 1.0 110.556 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.52 ' O ' ' O ' ' A' ' 88' ' ' PRO . 96.7 mt -134.82 94.57 16.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.581 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.1 Cg_exo -39.88 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.852 2.368 . . . . 1.0 112.122 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.435 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.3 tt0 -164.99 -50.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.631 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.5 pt-20 -46.82 -43.2 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.694 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -72.22 -41.76 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.774 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -59.85 -32.66 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.695 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -64.27 -35.51 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.94 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.584 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.543 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 67.9 m-85 -69.02 -35.93 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.715 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.603 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 42.1 ttp180 -87.48 -19.38 28.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.591 ' N ' HE22 ' A' ' 99' ' ' GLN . 58.2 mt -96.13 -50.22 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.206 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.11 -14.7 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.183 -172.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.813 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.63 56.56 5.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.81 -179.262 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.1 m -159.75 124.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.355 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.485 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -171.62 127.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 177.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.47 153.78 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.636 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.29 129.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.618 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 105' ' ' ASP . 16.7 t -86.39 173.61 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.393 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.703 ' H ' HG12 ' A' ' 104' ' ' VAL . 56.4 m-20 -48.99 117.54 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.532 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 106' ' ' VAL . 34.9 t -51.41 -12.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.617 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.1 tp10 -76.75 -34.67 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.494 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.27 -13.83 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.527 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.704 ' NE2' HH21 ' A' ' 111' ' ' ARG . 50.4 tt0 52.64 69.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 p -89.51 123.73 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.248 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.704 HH21 ' NE2' ' A' ' 109' ' ' GLN . 53.7 mtt85 -109.04 134.39 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 1.0 110.929 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.913 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.456 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . 15.7 mmm180 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.92 0.391 . . . . 1.0 110.654 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.15 141.35 16.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.896 2.398 . . . . 1.0 112.278 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.65 135.57 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.4 m-20 -40.81 140.39 1.07 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.15 -18.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.922 2.415 . . . . 1.0 111.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.432 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.626 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -79.74 -31.13 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.089 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.41 ' CG1' HG13 ' A' ' 106' ' ' VAL . 40.5 t -56.99 -63.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -58.99 -41.92 88.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -46.13 -41.67 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.287 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.77 -44.8 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.426 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.527 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.8 p -65.84 -17.79 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.586 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.488 ' CE ' HH22 ' A' ' 50' ' ' ARG . 16.5 mmm -95.49 -1.08 51.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.462 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.46 20.26 72.2 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.401 HG21 HH21 ' A' ' 50' ' ' ARG . 41.2 t -109.67 143.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.862 0.363 . . . . 1.0 110.631 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.5 -47.09 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.168 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.5 p -131.08 120.2 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.081 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.0 p -131.69 143.32 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 111.048 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.49 136.47 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.08 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.3 127.3 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 1.0 111.039 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.2 t -132.68 120.79 16.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.999 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -78.62 150.81 24.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.965 2.443 . . . . 1.0 112.75 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.0 mt -113.95 110.0 19.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.13 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 ptm -135.08 160.87 36.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 1.0 110.713 -175.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.6 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 40.1 t-80 -131.97 122.51 25.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.485 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 0.5 OUTLIER 62.42 -104.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 13.9 pt20 -116.8 -6.86 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.491 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -101.5 150.46 23.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.588 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.89 125.23 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.45 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -99.29 -42.38 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.635 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.3 -177.27 34.25 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.151 -0.78 . . . . 1.0 111.151 -176.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 54' ' ' TYR . 55.3 mt -135.99 137.81 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.662 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.574 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.8 tp -105.08 151.18 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.195 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.5 p -158.81 135.16 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 1.0 111.05 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.0 p -117.47 135.9 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.172 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 48' ' ' THR . 74.3 m-70 -116.51 134.98 54.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.022 -178.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' A' ' 172' ' ' GLU . 3.8 t60 -130.85 136.81 48.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.428 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -84.36 36.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.648 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' A' ' 170' ' ' HIS . 9.8 mp0 -158.28 152.78 20.5 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.486 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.539 ' O ' ' O ' ' A' ' 174' ' ' ARG . 39.8 Cg_endo -67.66 -97.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.859 2.373 . . . . 1.0 112.161 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.539 ' O ' ' O ' ' A' ' 173' ' ' PRO . 9.5 tpt180 55.25 122.8 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.367 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.07 166.88 25.95 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.875 2.384 . . . . 1.0 112.221 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -107.67 147.84 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.5 m -90.41 152.78 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.584 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.06 -29.81 70.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.377 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -79.98 -55.13 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.436 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.37 -37.35 80.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.445 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.83 -45.74 82.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.232 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.62 -50.28 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.275 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 53.1 t -44.19 -44.99 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.142 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.34 -49.94 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.204 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.27 -33.85 9.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.96 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -44.31 63.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.889 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.89 -44.4 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.83 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.14 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.783 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -61.53 -36.94 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.786 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.54 -29.3 67.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.854 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.28 -48.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.041 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 p -54.7 -32.29 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.97 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 37.2 mt -69.03 -33.58 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.1 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.29 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.299 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 10.7 mt -55.86 -49.37 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.224 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -66.62 -49.73 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.23 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.72 -47.5 86.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.21 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.83 76.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.306 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -52.29 -42.16 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.457 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.0 tp -48.47 -36.1 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.457 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.4 m -50.18 -60.21 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.064 -0.97 . . . . 1.0 110.549 179.721 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.72 -32.88 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.13 -50.81 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.66 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' THR . 96.3 mt -56.66 -49.38 78.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.631 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.504 ' O ' ' OG1' ' A' ' 38' ' ' THR . 54.9 mt -56.14 -31.83 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.595 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.614 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.4 ttt180 -63.92 -41.01 97.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.833 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.77 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 42' ' ' VAL . 74.8 p -67.99 -36.27 79.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.664 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.647 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.8 p -70.71 -24.87 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.698 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 95.8 mt-10 -74.04 -35.01 64.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.731 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.49 -37.82 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.674 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 38' ' ' THR . 74.4 t -58.98 -56.52 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.753 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.775 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ptm180 -51.61 -42.92 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.539 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.595 ' CB ' HG23 ' A' ' 48' ' ' THR . 16.9 mt -93.75 -13.75 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.576 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.78 25.41 15.36 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.595 HG23 ' CB ' ' A' ' 46' ' ' LEU . 68.6 p -74.79 142.34 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 1.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.1 m-20 -43.35 -47.98 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.52 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.557 HH22 ' CE ' ' A' ' 146' ' ' MET . 30.8 ptt180 -150.89 145.77 25.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 1.0 110.871 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 8.0 p -150.57 137.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.917 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' NZ ' ' CE1' ' A' ' 169' ' ' HIS . 12.2 pttm -138.93 155.21 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 1.0 111.162 -177.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 166' ' ' LEU . 57.4 t -100.33 138.4 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.822 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.5 t80 -124.16 126.64 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 1.0 111.229 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -107.14 146.18 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.99 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.26 140.86 36.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 1.0 110.867 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.2 m-20 -100.42 152.17 37.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.503 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -40.82 -46.48 4.85 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.841 2.361 . . . . 1.0 112.088 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -71.64 -13.14 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 108.41 -6.25 33.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 57' ' ' ASP . 56.5 m80 -74.33 144.65 44.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 1.0 110.512 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -129.5 152.88 19.69 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -133.64 156.71 47.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.89 111.06 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.65 -0.46 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.443 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.647 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.76 127.99 6.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.556 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 75.9 tt0 -162.49 141.67 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.501 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.74 142.89 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.569 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.538 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 66.2 mtp180 -107.14 134.53 50.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.59 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -87.03 118.0 4.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.72 43.92 16.63 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 40.14 36.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 1.0 110.609 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -75.8 -49.09 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.554 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' NE ' ' A' ' 69' ' ' ARG . 35.3 mt -120.91 135.45 24.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.46 167.3 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.755 2.303 . . . . 1.0 112.051 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -107.96 126.81 53.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.671 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.553 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 12.7 mt -84.3 21.84 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.7 130.09 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.73 -8.94 75.92 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 77' ' ' LEU . 61.4 mt -84.99 143.37 28.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 1.0 110.544 178.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.4 p -111.5 149.91 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 21.3 m-85 -116.51 146.34 37.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.468 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -70.23 146.57 57.65 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.743 2.296 . . . . 1.0 112.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -70.24 -40.35 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.764 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.47 -15.06 1.09 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 84' ' ' ALA . 54.8 t0 -71.87 -27.28 62.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 1.0 110.508 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.56 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.1 mm -111.82 102.63 53.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.586 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.8 Cg_exo -45.61 -117.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.863 2.376 . . . . 1.0 112.126 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -159.24 -54.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -46.33 -42.94 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.706 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -73.03 -46.5 51.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -54.13 -33.28 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.59 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.73 -33.61 76.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.465 HD13 HH22 ' A' ' 133' ' ' ARG . 39.0 mt -63.56 -33.39 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.541 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.561 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 16.6 m-85 -70.81 -35.85 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.604 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 38.5 mtm180 -86.39 -18.91 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.81 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.661 ' N ' HE22 ' A' ' 99' ' ' GLN . 82.4 mt -100.4 -48.7 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.163 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 -16.12 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.146 -173.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.87 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 43.33 56.82 4.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.806 -179.217 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 100' ' ' VAL . 12.2 p -157.6 123.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.453 -178.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.689 HH11 ' HE ' ' A' ' 133' ' ' ARG . 15.3 tpt180 -165.27 127.16 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.454 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.2 t -145.73 150.71 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.63 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.532 HD12 ' OG ' ' A' ' 151' ' ' SER . 27.7 mt -109.59 127.41 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.622 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.64 172.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -52.87 118.24 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.42 -19.51 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.635 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -66.18 -42.57 88.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.413 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -61.71 -0.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.534 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.9 pt20 39.84 67.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.754 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -92.43 123.83 36.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.21 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.929 0.395 . . . . 1.0 110.993 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.576 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.857 177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.689 ' HE ' HH11 ' A' ' 101' ' ' ARG . 9.0 mmm180 . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.964 0.412 . . . . 1.0 110.562 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -48.79 142.04 19.86 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.943 2.429 . . . . 1.0 112.282 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.93 132.1 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.378 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.576 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -41.89 151.86 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.742 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -47.72 -12.05 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.941 2.427 . . . . 1.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -60.47 -46.8 88.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.6 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -24.25 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 45.0 t -58.67 -56.31 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.254 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -70.21 -50.13 43.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -47.75 -47.17 30.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.273 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.478 HD11 HD13 ' A' ' 103' ' ' ILE . 44.4 mt -71.91 -47.85 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.487 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -57.04 -43.17 81.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.566 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.6 p -66.88 -20.09 65.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.591 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.557 ' CE ' HH22 ' A' ' 50' ' ' ARG . 17.8 mmm -93.58 -3.24 53.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.81 21.47 68.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.19 142.64 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 1.0 110.674 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.37 -45.96 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.226 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.4 p -132.78 118.69 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.063 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.532 ' OG ' HD12 ' A' ' 103' ' ' ILE . 22.9 p -129.1 142.78 50.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.968 0.413 . . . . 1.0 110.948 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -101.7 133.15 46.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.069 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.15 127.66 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.086 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.7 t -131.86 117.57 16.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.019 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.67 152.41 33.16 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.945 2.43 . . . . 1.0 112.799 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 54.8 mt -115.45 111.96 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.155 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.0 ptm -135.17 158.53 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.0 110.682 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.639 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 83.8 t60 -132.31 127.97 36.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.435 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.631 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 4.8 m-70 59.44 -103.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -119.52 -6.61 10.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.48 -177.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.422 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 11.9 pt-20 -104.58 157.04 17.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.644 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.2 128.26 54.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.469 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.422 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 13.7 m95 -102.06 -43.72 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.71 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.55 -176.93 33.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -176.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.03 142.23 36.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.879 0.371 . . . . 1.0 110.683 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.9 tp -105.28 152.41 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.142 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 51' ' ' VAL . 15.0 p -158.53 134.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 1.0 111.046 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.3 p -117.54 141.83 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.124 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.424 ' CE1' ' NZ ' ' A' ' 52' ' ' LYS . 18.2 m80 -116.25 133.44 56.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.953 0.406 . . . . 1.0 111.052 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.714 ' ND1' ' N ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER -124.63 129.59 50.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.373 177.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -87.85 25.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 45.6 mt-10 -159.69 150.64 15.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.528 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.05 128.83 19.35 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.817 2.345 . . . . 1.0 112.282 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -165.74 91.96 0.86 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.374 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.07 163.63 3.13 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.901 2.401 . . . . 1.0 112.17 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -111.6 146.11 37.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.447 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 181' ' ' LEU . 89.2 p -106.16 158.57 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.642 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.75 -42.74 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.428 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 46.5 mp0 -60.42 -43.43 96.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 184' ' ' VAL . 79.0 mm-40 -83.76 -11.42 57.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.362 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 177' ' ' SER . 20.6 tp -72.56 -48.32 41.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.305 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.448 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 13.4 pt20 -69.9 -43.43 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.25 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 53.6 t -45.87 -54.54 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.107 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.652 HG13 ' N ' ' A' ' 185' ' ' GLN . 7.2 p -77.41 -52.52 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.652 ' N ' HG13 ' A' ' 184' ' ' VAL . 54.5 tp60 -51.14 -40.55 58.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.943 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 182' ' ' GLN . 28.6 tp -73.04 -45.52 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.938 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.3 -43.66 53.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 1.0 109.792 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.07 97.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.724 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.88 -36.44 76.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 1.0 109.794 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -69.32 -29.3 67.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.899 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.16 -48.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.061 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.5 m -53.71 -33.51 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.043 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 40.8 mt -68.68 -33.97 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.57 85.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.237 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.4 mt -56.42 -48.64 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.227 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.639 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -67.2 -49.86 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.26 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.54 -46.8 88.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.251 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.423 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.1 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.268 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -52.93 -42.41 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.474 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.79 -27.75 2.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.447 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 79.5 p -49.73 -59.91 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.904 -1.046 . . . . 1.0 110.52 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -53.94 -33.15 55.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.31 -47.85 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.619 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.06 -43.63 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 38' ' ' THR . 79.9 mt -61.83 -32.25 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' VAL . 60.0 ttp180 -75.14 -41.55 58.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.759 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.1 -29.95 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.721 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.4 t -71.0 -35.04 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.708 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -71.44 -23.44 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.71 -178.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.13 -44.2 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.72 -36.79 70.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.665 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 38' ' ' THR . 53.4 t -57.93 -53.54 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.733 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 47' ' ' GLY . 22.0 ttp-105 -52.76 -43.55 65.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.733 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.02 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.646 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.16 -38.13 89.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.591 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.69 -15.29 24.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.582 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.06 24.61 9.03 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 96.2 m -76.09 144.95 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.629 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' THR . 91.6 m-20 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.522 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.656 HH21 ' CG2' ' A' ' 148' ' ' VAL . 36.7 ptt180 -150.35 146.91 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.895 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.8 t -141.58 133.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.924 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.673 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 41.5 mttt -133.77 145.86 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 1.0 111.137 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 166' ' ' LEU . 62.1 t -98.27 138.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 1.0 109.857 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.548 ' O ' ' N ' ' A' ' 165' ' ' LEU . 17.5 t80 -121.15 119.52 32.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 1.0 111.204 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -93.32 133.87 36.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.991 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -99.64 132.16 45.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 1.0 110.928 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 61' ' ' HIS . 1.0 OUTLIER -101.18 150.9 37.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.465 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.48 -32.38 26.83 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.891 2.394 . . . . 1.0 112.127 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 98.0 mt-10 -79.05 -7.19 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.551 -177.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.68 -16.3 54.86 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.552 ' NE2' ' OD2' ' A' ' 57' ' ' ASP . 22.5 p-80 -80.1 152.77 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 1.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.33 163.82 26.0 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -136.1 159.93 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 1.0 110.601 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 t -92.42 108.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.631 178.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.4 t -105.75 -0.97 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.453 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -157.51 130.75 7.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.4 tm-20 -162.5 139.99 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.466 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.54 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.618 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.536 ' NE ' ' OE1' ' A' ' 72' ' ' GLU . 36.8 ptt180 -135.81 146.01 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.546 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.6 149.57 16.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.55 31.74 0.42 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' NE ' ' A' ' 69' ' ' ARG . 79.8 mm-40 42.45 18.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 40.0 ttm180 -58.24 -40.17 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.61 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 mt -118.19 120.1 32.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.612 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.29 167.8 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.728 2.286 . . . . 1.0 112.013 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 p -99.82 130.02 45.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.673 HD12 ' NZ ' ' A' ' 52' ' ' LYS . 18.4 mt -102.04 14.71 31.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.445 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.14 135.0 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.13 -9.17 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 77' ' ' LEU . 73.5 mt -83.98 144.98 28.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -105.83 134.65 48.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -105.53 113.9 63.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 1.0 110.456 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.03 145.16 5.44 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.649 2.233 . . . . 1.0 112.185 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.24 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.825 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.79 -20.6 8.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.72 -8.09 44.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.504 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.592 ' O ' ' O ' ' A' ' 88' ' ' PRO . 3.1 mt -134.99 101.4 11.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.631 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.592 ' O ' ' O ' ' A' ' 87' ' ' ILE . 82.4 Cg_exo -43.58 -117.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.889 2.392 . . . . 1.0 112.12 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -160.69 -41.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.535 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.66 -45.06 77.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.691 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' HD1' ' A' ' 95' ' ' PHE . . . -68.82 -36.35 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.795 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -63.87 -33.94 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.724 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -63.73 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.7 -35.77 73.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.55 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 86.8 m-85 -68.74 -34.78 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.583 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 84.2 mtm-85 -88.64 -20.21 25.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.848 -178.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' N ' HE22 ' A' ' 99' ' ' GLN . 75.6 mt -95.46 -51.29 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.157 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.2 -12.33 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.147 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.791 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.54 51.1 10.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.88 -178.664 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.0 t -152.94 119.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.458 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.448 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -167.46 126.04 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.48 178.097 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.9 t -145.07 152.3 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.673 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.543 HD12 ' OG ' ' A' ' 151' ' ' SER . 63.7 mt -106.67 126.64 62.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.56 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 105' ' ' ASP . 10.2 t -84.38 171.13 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.46 -177.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.633 ' H ' HG12 ' A' ' 104' ' ' VAL . 32.5 m-20 -52.24 116.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.615 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.03 -16.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -67.36 -42.59 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.399 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.1 -1.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.512 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.7 pt20 40.16 66.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.722 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.45 124.71 35.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.245 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -111.54 141.5 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.961 0.41 . . . . 1.0 111.077 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.439 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 1.1 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.949 177.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.869 0.366 . . . . 1.0 110.577 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -47.54 139.82 17.22 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.925 2.417 . . . . 1.0 112.356 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 140' ' ' VAL . 2.1 m -87.37 159.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.352 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.2 OUTLIER -88.68 138.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.776 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -41.1 -32.53 1.04 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.9 2.4 . . . . 1.0 111.824 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -72.26 -34.44 68.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 178.078 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 136' ' ' ASP . 6.8 t60 -87.2 -25.6 23.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.099 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.483 HG22 HG23 ' A' ' 135' ' ' VAL . 70.5 t -57.38 -54.74 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.222 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -46.45 -44.65 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.34 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 mt -73.88 -45.08 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.436 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -55.41 -44.32 76.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.558 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -64.22 -16.53 62.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.622 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 36.4 mmm -96.44 -1.8 46.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.87 21.94 73.05 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.656 ' CG2' HH21 ' A' ' 50' ' ' ARG . 98.6 t -103.87 138.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 1.0 110.67 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.35 -52.86 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.202 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 44.2 p -132.83 114.59 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.986 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.543 ' OG ' HD12 ' A' ' 103' ' ' ILE . 70.8 p -131.82 145.72 51.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.049 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.5 mp -101.86 132.25 47.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.059 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.87 103.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 111.037 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 166' ' ' LEU . 91.6 t -108.15 120.67 46.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.108 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.24 159.07 26.46 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.949 2.433 . . . . 1.0 112.756 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.1 mt -123.09 111.98 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.124 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.7 ptm -133.45 157.7 44.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 1.0 110.679 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.572 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 55.3 t-80 -132.62 123.21 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.549 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 66.96 -111.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.497 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -114.88 -7.12 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.514 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 162' ' ' LEU . 25.5 tp10 -102.89 154.05 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -176.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.503 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 16.3 tp -105.53 127.44 53.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.447 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 74.4 m95 -100.72 -40.34 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.633 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.54 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.89 -176.38 35.72 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -176.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.9 mp -138.68 146.56 41.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.338 . . . . 1.0 110.654 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -109.59 154.53 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.16 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -160.95 138.66 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 1.0 110.991 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 10.5 m -118.44 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.184 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.522 ' O ' ' CG2' ' A' ' 48' ' ' THR . 18.9 m80 -109.35 130.74 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.025 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.41 128.09 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.83 39.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -163.13 154.82 15.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.582 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 174' ' ' ARG . 53.4 Cg_endo -70.41 -99.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.734 2.29 . . . . 1.0 112.264 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 173' ' ' PRO . 17.9 mtp-105 56.47 131.11 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 1.0 110.349 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.19 162.6 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.809 2.339 . . . . 1.0 112.199 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -108.74 155.26 20.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.444 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 88.6 p -112.95 152.4 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . 0.509 ' N ' ' OE1' ' A' ' 178' ' ' GLN . 1.1 mp0 -63.38 -37.25 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.495 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.85 -58.31 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.338 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.13 -25.1 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.447 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.39 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.337 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.51 -52.07 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.274 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.22 -49.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.067 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -50.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.114 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -51.29 -40.23 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.92 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.46 -47.54 32.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.994 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.61 -45.39 57.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.82 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.67 98.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.824 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -60.99 -37.95 84.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.741 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.77 -30.31 68.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 42.6 t -75.54 -49.57 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.978 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.409 ' O ' ' CG1' ' A' ' 195' ' ' ILE . 26.5 p -51.66 -27.08 10.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.0 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 45.2 mt -76.67 -34.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.13 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.97 96.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.198 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.53 ' CG2' HD21 ' A' ' 35' ' ' LEU . 14.8 pt -68.32 -27.82 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.212 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.572 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -73.06 -52.62 13.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.279 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' A' ' 198' ' ' ALA . 3.4 pp0? -69.4 -37.18 77.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.256 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 197' ' ' GLN . . . -66.35 -36.26 82.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.86 -41.58 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.413 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.27 -33.1 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.3 m -52.99 -58.43 7.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.46 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.897 -1.049 . . . . 1.0 110.515 179.587 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.829 0.347 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 49.5 t0 -48.5 -34.09 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.652 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -76.73 -48.0 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.656 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mm -59.45 -46.48 92.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.616 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.547 ' O ' ' OG1' ' A' ' 38' ' ' THR . 38.0 mt -57.93 -31.38 66.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.591 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 39' ' ' VAL . 61.2 ttm-85 -65.91 -41.63 91.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.747 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.58 -26.58 60.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.74 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.7 p -66.07 -37.98 87.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.617 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.18 -24.74 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.777 -179.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -73.2 -36.77 66.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.697 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.2 -37.37 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.761 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 38' ' ' THR . 55.5 t -58.67 -57.73 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.69 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.751 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.1 ptm180 -49.56 -42.76 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -58.49 -50.41 73.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -61.66 -43.21 99.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.529 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.3 mt -93.63 -11.91 30.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.538 -178.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.751 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 53.74 25.42 29.3 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 78.7 m -73.85 137.56 43.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 1.0 110.584 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.578 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.1 p30 -54.1 -40.65 67.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.466 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.578 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 39.1 ttt180 -144.32 128.92 18.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.881 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -145.46 132.83 15.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 1.0 109.971 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.64 152.5 51.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 1.0 111.23 -176.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.565 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.9 t -96.89 138.29 22.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.928 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 165' ' ' LEU . 19.4 t80 -118.73 117.51 29.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.001 0.429 . . . . 1.0 111.194 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -92.28 130.76 37.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.063 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.564 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 72.1 t80 -97.48 126.71 42.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.835 0.35 . . . . 1.0 110.89 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 6.9 m-20 -94.04 162.16 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.491 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -67.4 -22.94 44.77 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.88 2.387 . . . . 1.0 112.1 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.51 1.69 54.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.582 -178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.596 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 97.17 -17.27 59.47 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 25.3 m-70 -77.72 149.61 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.329 . . . . 1.0 110.638 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.483 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.29 159.68 24.82 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.909 -0.877 . . . . 1.0 110.909 179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.5 p -135.02 157.96 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 1.0 110.547 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.434 HG13 ' H ' ' A' ' 79' ' ' GLY . 2.2 p -95.23 112.56 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.649 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.6 t -108.34 0.33 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.407 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.66 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.39 129.74 8.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.527 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.4 tt0 -162.1 142.09 10.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.516 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.57 142.52 46.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.602 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HE ' ' HG2' ' A' ' 72' ' ' GLU . 36.6 ptt-85 -125.74 142.42 51.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.665 -178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.75 122.6 7.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.819 -0.912 . . . . 1.0 110.819 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 58.37 36.45 83.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' HG2' ' HE ' ' A' ' 69' ' ' ARG . 95.6 mt-10 42.43 18.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 1.0 110.55 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 71' ' ' GLY . 10.8 tpp180 -56.61 -44.73 81.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.555 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.58 121.14 43.17 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.597 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.517 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 77.6 Cg_exo -49.76 166.88 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.81 2.34 . . . . 1.0 112.004 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.7 t -96.41 141.12 30.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.664 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' HG ' HH22 ' A' ' 50' ' ' ARG . 17.3 mt -117.91 4.72 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.436 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.07 138.04 38.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.52 -176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.434 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.02 -7.17 82.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.774 -0.931 . . . . 1.0 110.774 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -87.2 143.75 27.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 1.0 110.55 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 m -103.62 131.7 50.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.527 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -100.99 137.71 19.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 39.2 Cg_endo -73.36 131.14 15.96 Favored 'Trans proline' 0 C--N 1.303 -1.83 0 C-N-CA 122.747 2.298 . . . . 1.0 112.137 179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -56.32 -32.83 65.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.809 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.5 -18.66 0.63 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 37.2 p-10 -63.87 -23.6 67.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 1.0 110.461 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 20.2 mt -138.33 94.2 10.99 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.605 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 64.2 Cg_exo -34.51 -87.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.849 2.366 . . . . 1.0 112.075 -178.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.9 tt0 -171.4 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -56.94 -43.95 82.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.602 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' HB1' HH12 ' A' ' 101' ' ' ARG . . . -70.3 -38.85 75.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.769 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -63.18 -33.32 75.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -64.03 -38.0 89.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.548 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.21 -36.37 73.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.513 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.442 ' HZ ' HBA1 ' A' ' 301' ' ' CYC . 80.9 m-85 -68.33 -30.74 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.744 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -93.2 -21.36 19.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.837 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.616 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 66.3 mt -92.65 -49.82 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.136 -176.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -10.99 12.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.131 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.616 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 4.1 mp0 43.19 57.36 3.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.838 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 100' ' ' VAL . 12.4 p -158.86 121.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.386 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.481 HH12 ' HB1' ' A' ' 91' ' ' ALA . 4.0 tpt180 -168.49 130.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.444 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 53.2 t -146.18 151.9 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.575 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.52 128.4 64.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.514 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 105' ' ' ASP . 11.3 t -85.44 172.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.445 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.672 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.4 t0 -52.75 116.81 2.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.527 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.574 HG23 HG13 ' A' ' 140' ' ' VAL . 12.4 p -48.97 -14.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.5 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 105' ' ' ASP . 82.8 tt0 -67.73 -41.86 82.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.456 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -65.08 -2.24 2.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.558 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.2 pt20 39.49 68.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.672 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.7 p -89.69 124.96 35.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.246 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -111.78 141.32 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 1.0 110.987 -176.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.444 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -120.06 153.17 36.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.891 178.057 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 114' ' ' SER . 49.6 mt -152.53 159.3 3.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.702 -0.399 . . . . 1.0 111.021 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.53 ' N ' HG22 ' A' ' 113' ' ' ILE . 69.8 m -76.18 173.04 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.394 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -149.25 150.55 32.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 1.0 110.602 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -70.36 -29.66 20.67 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.886 2.391 . . . . 1.0 112.023 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -61.5 -37.09 82.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 119' ' ' TRP . 47.1 t 42.71 -113.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.504 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.444 ' O ' ' O ' ' A' ' 118' ' ' SER . 75.4 t-105 43.83 96.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.584 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -79.83 155.09 38.52 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.4 mp -93.03 140.61 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.773 0.32 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.7 p -73.25 166.9 22.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.504 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.608 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.59 -42.1 87.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.57 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.24 155.24 60.33 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.631 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.53 152.63 26.2 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.859 2.373 . . . . 1.0 112.088 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 9.4 mt -51.33 -55.04 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.556 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 60.81 37.43 93.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -117.63 153.47 50.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.938 0.399 . . . . 1.0 110.588 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.76 153.35 75.91 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.943 2.429 . . . . 1.0 112.241 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.8 mt -60.79 -8.64 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.503 -178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -134.95 159.43 41.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.509 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -133.77 119.97 15.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.563 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -81.18 141.47 12.93 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 123.001 2.467 . . . . 1.0 112.27 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 135' ' ' VAL . 27.0 m -115.07 126.2 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.343 178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -38.34 154.78 0.13 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.783 -179.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -57.91 -38.12 93.57 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.003 2.469 . . . . 1.0 111.744 -177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.555 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -56.79 -30.55 63.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.591 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.444 ' NE2' ' NA ' ' A' ' 301' ' ' CYC . 1.6 t60 -86.58 -30.93 21.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.183 178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.574 HG13 HG23 ' A' ' 106' ' ' VAL . 62.6 t -57.26 -52.2 59.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.258 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -60.99 -45.0 96.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.428 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -46.71 -43.69 18.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.336 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.57 -44.81 49.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.416 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -54.64 -45.01 73.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.8 t -62.78 -15.93 55.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.568 176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.42 -3.03 40.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.479 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.11 23.08 66.89 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.4 t -107.79 140.16 27.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.631 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.45 -51.37 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.232 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.6 m -130.14 115.07 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.068 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 18.2 t -130.89 143.82 51.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.963 0.411 . . . . 1.0 110.979 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.7 mp -102.77 131.74 49.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.043 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 7.0 t -111.04 104.33 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 1.0 111.052 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 21.0 t -107.48 122.78 40.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.005 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -79.11 152.93 24.59 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.929 2.42 . . . . 1.0 112.815 -175.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.6 mt -117.7 108.88 15.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.093 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.4 ptm -136.29 165.49 25.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.899 0.381 . . . . 1.0 110.622 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.643 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 78.2 t60 -144.89 122.3 11.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.565 177.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 60.9 t60 76.3 -113.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.525 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -117.63 -4.26 11.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.498 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -106.8 158.66 16.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.588 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 27.9 tp -107.7 129.11 55.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.442 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.1 m95 -99.3 -42.68 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.705 -177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.487 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.28 -176.48 30.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.244 -0.743 . . . . 1.0 111.244 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -139.06 134.02 32.4 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.842 0.353 . . . . 1.0 110.721 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.565 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.7 tp -102.88 154.57 19.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.219 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -160.52 140.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.943 0.401 . . . . 1.0 111.026 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 48.3 m -118.71 136.17 54.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.181 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.492 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.7 m-70 -109.15 126.57 53.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.99 0.424 . . . . 1.0 111.044 -178.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.437 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 74.3 m80 -122.83 123.99 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.37 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.421 ' N ' ' OE2' ' A' ' 172' ' ' GLU . . . -83.46 35.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.628 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.421 ' OE2' ' N ' ' A' ' 171' ' ' ALA . 1.3 pm0 -173.29 149.87 1.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.553 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.05 138.18 51.22 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.832 2.355 . . . . 1.0 112.186 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -167.46 93.28 0.68 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.324 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.44 158.19 8.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.845 2.363 . . . . 1.0 112.239 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -110.14 148.23 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.413 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 181' ' ' LEU . 46.3 m -107.33 154.13 21.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.628 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -53.55 -41.82 66.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.385 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -53.83 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.366 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -65.21 -31.54 72.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.383 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 177' ' ' SER . 58.3 tp -61.97 -39.5 92.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.234 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 186' ' ' LEU . 48.8 tt0 -65.2 -47.53 76.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.258 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.0 t -46.19 -54.32 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.101 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.646 HG13 ' N ' ' A' ' 185' ' ' GLN . 6.4 p -76.44 -52.56 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.189 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.646 ' N ' HG13 ' A' ' 184' ' ' VAL . 56.5 tp60 -52.3 -40.1 61.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 1.0 109.985 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.459 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 34.2 tp -74.44 -47.11 35.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.8 tp -49.51 -43.33 45.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.826 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.797 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.02 -38.67 89.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.768 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 190' ' ' GLN . 1.9 mp0 -67.51 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.888 178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.61 -47.58 28.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.069 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.03 -33.64 57.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.02 -0.537 . . . . 1.0 109.982 177.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.3 mt -67.73 -33.93 64.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.068 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.15 84.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.26 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.7 mt -60.77 -34.46 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.187 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.643 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -74.98 -54.24 7.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.258 -177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.508 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 1.4 pt20 -63.53 -41.46 98.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.222 -176.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.2 -33.63 75.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.303 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -53.54 -43.96 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.407 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 42.2 mt -48.61 -35.78 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.443 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -56.68 -61.41 2.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.519 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 27.3 tp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.017 -0.992 . . . . 1.0 110.526 179.687 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.787 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' ' 35' ' ' LEU . 6.6 tp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.879 0.371 . . . . 1.0 110.591 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -52.32 -32.47 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.673 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -50.44 15.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.692 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 38' ' ' THR . 96.7 mt -57.3 -47.68 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.643 ' CD1' HH21 ' A' ' 55' ' ' ARG . 41.5 mt -56.44 -32.11 64.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.593 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.549 ' O ' HG12 ' A' ' 39' ' ' VAL . 35.5 ttp180 -62.54 -41.93 99.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.789 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.09 -26.74 59.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.787 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.546 HG23 ' O ' ' A' ' 34' ' ' ILE . 75.0 p -67.75 -37.64 82.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.704 -178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.666 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -68.24 -26.26 33.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.702 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -79.17 -36.25 40.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -70.31 -53.24 17.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.691 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.595 HG23 ' N ' ' A' ' 43' ' ' ARG . 21.7 m -52.45 -46.04 46.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.813 -178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.778 ' O ' ' N ' ' A' ' 47' ' ' GLY . 45.0 ttp180 -47.76 -46.01 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.757 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.85 -47.11 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -63.49 -41.6 98.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.527 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' HB3' HG23 ' A' ' 48' ' ' THR . 4.3 mt -95.94 -11.69 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.516 -178.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.778 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.62 28.19 3.45 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 46' ' ' LEU . 2.8 p -76.27 142.3 41.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.364 . . . . 1.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -53.03 -41.51 64.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.506 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 47.2 ttt85 -143.56 135.31 26.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.897 -175.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.4 p -147.49 132.53 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.006 176.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.629 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 10.4 pttm -136.61 151.37 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.05 0.452 . . . . 1.0 111.225 -177.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.5 t -98.9 139.83 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.851 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 165' ' ' LEU . 16.8 t80 -122.34 121.0 35.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.871 0.367 . . . . 1.0 111.265 -178.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.643 HH21 ' CD1' ' A' ' 35' ' ' LEU . 38.3 ttm180 -100.27 140.06 35.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.892 -0.595 . . . . 1.0 109.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.94 139.05 38.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 1.0 110.857 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.0 m-20 -100.36 152.39 37.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.478 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -41.1 -45.99 5.27 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.831 2.354 . . . . 1.0 112.114 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.5 -11.04 60.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.628 -178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.492 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 106.04 -7.23 40.89 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 70.2 m80 -76.87 148.74 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 1.0 110.599 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.93 160.52 24.62 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -178.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.8 p -137.06 160.54 38.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 t -91.87 108.61 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.64 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -107.03 -3.9 10.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.42 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.666 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.67 127.6 7.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.533 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' N ' HD21 ' A' ' 78' ' ' LEU . 13.9 tm-20 -162.06 141.33 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.412 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.19 138.21 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.647 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' OG ' ' A' ' 76' ' ' SER . 5.3 ptp180 -114.15 139.02 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -177.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.93 118.72 6.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.813 -0.915 . . . . 1.0 110.813 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 57.09 41.79 92.77 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.826 -0.91 . . . . 1.0 110.826 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' A' ' 72' ' ' GLU . 42.0 mp0 40.18 22.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.774 0.321 . . . . 1.0 110.561 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 55.3 ttm-85 -60.09 -42.41 94.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.542 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' HB2' HH11 ' A' ' 50' ' ' ARG . 77.7 mt -116.5 145.97 36.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.518 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.534 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 46.7 Cg_endo -68.96 167.88 22.1 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.754 2.303 . . . . 1.0 112.125 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.533 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 70.8 m -97.21 127.7 43.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.726 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' A' ' 80' ' ' LEU . 22.6 mt -97.38 12.81 31.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.46 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.453 HD21 ' N ' ' A' ' 67' ' ' GLU . 91.4 mt -60.4 132.85 55.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.526 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.17 -12.35 62.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 77' ' ' LEU . 65.0 mt -81.4 143.95 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.752 0.311 . . . . 1.0 110.601 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 78.2 m -104.98 131.71 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.372 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -104.29 140.08 20.73 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.445 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.429 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.8 Cg_endo -71.88 137.6 29.85 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.141 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -66.24 -33.31 75.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.76 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.6 -15.96 0.55 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' N ' ' C ' ' A' ' 84' ' ' ALA . 49.1 p-10 -67.9 -21.54 65.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.417 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 63.4 mt -133.14 92.37 25.43 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 67.5 Cg_exo -35.44 -96.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.912 2.408 . . . . 1.0 112.035 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.512 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 83.8 tt0 -167.91 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.622 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -53.37 -44.76 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.666 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.667 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -70.1 -33.11 71.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.766 -179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -68.4 -32.73 73.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.638 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.512 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 93.2 mtt-85 -63.24 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.586 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.486 HD12 HH21 ' A' ' 133' ' ' ARG . 7.9 mt -61.64 -34.28 75.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.626 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.423 ' CE2' ' HG2' ' A' ' 101' ' ' ARG . 4.5 m-85 -64.96 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.694 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.441 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 51.6 ttp85 -91.78 -20.12 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.78 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' C ' HE22 ' A' ' 99' ' ' GLN . 33.2 mt -90.87 -52.52 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.182 -175.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -109.18 -12.01 14.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.133 -173.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.789 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 42.39 56.12 3.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.878 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 99' ' ' GLN . 5.8 m -156.54 109.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.448 179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.617 HH21 ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -154.88 122.97 5.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.479 -178.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.7 t -143.76 151.12 16.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.573 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 57.3 mt -112.05 127.12 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.585 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.705 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.2 p -85.59 173.56 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.384 -177.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.705 ' H ' HG22 ' A' ' 104' ' ' VAL . 67.6 t0 -50.06 117.85 2.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.5 p -51.79 -18.8 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.591 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -72.43 -38.06 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.437 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.75 -13.54 6.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.576 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 54.48 66.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.718 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.5 m -97.84 123.51 41.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.137 176.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -112.21 142.52 44.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.966 -176.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 134' ' ' PRO . 0.3 OUTLIER -119.91 152.09 37.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 1.0 109.935 177.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.2 mt -149.63 157.63 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.916 0.388 . . . . 1.0 111.011 -178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.1 m -73.59 168.21 19.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.453 178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.88 68.26 0.28 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 120.931 0.396 . . . . 1.0 110.675 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -74.96 111.78 3.41 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.826 2.351 . . . . 1.0 112.043 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 117' ' ' GLU . 47.8 mp0 -65.36 -34.58 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 119' ' ' TRP . 1.5 t 169.25 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.534 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.419 ' N ' ' OG ' ' A' ' 118' ' ' SER . 9.1 m-90 -58.68 -43.3 89.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.614 -179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.54 48.81 21.66 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 123' ' ' ALA . 45.1 mt -56.51 -29.17 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.783 0.325 . . . . 1.0 110.578 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 121' ' ' LEU . 0.9 OUTLIER 74.44 -19.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.49 -179.751 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' H ' ' C ' ' A' ' 121' ' ' LEU . . . -54.67 -19.17 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 125' ' ' VAL . 4.6 ptp180 37.72 -140.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.55 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 124' ' ' ARG . 7.5 p -135.68 131.74 19.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.585 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.456 ' O ' ' O ' ' A' ' 127' ' ' LEU . 82.9 Cg_exo -45.41 135.81 11.94 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.837 2.358 . . . . 1.0 112.164 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.679 HD12 ' N ' ' A' ' 127' ' ' LEU . 8.6 mp 39.63 -163.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.72 38.16 8.97 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -116.69 151.04 46.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 1.0 110.628 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.467 ' C ' ' H ' ' A' ' 132' ' ' GLN . 44.5 Cg_endo -68.93 170.23 16.04 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.971 2.447 . . . . 1.0 112.234 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.1 mt -74.75 17.31 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.484 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.467 ' H ' ' C ' ' A' ' 130' ' ' PRO . 0.0 OUTLIER -163.74 135.46 4.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.553 -179.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.486 HH21 HD12 ' A' ' 94' ' ' LEU . 38.3 ttt-85 -113.46 96.12 38.72 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.615 -179.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.446 ' O ' ' OG ' ' A' ' 112' ' ' SER . 73.5 Cg_exo -49.46 141.29 25.93 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.942 2.428 . . . . 1.0 112.28 179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -119.65 131.52 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.337 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 138' ' ' CYS . 0.8 OUTLIER -42.0 145.35 0.75 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.725 -179.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -44.27 -12.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 123.015 2.477 . . . . 1.0 111.75 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -63.15 -40.34 97.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.621 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.433 ' HD1' ' HG ' ' A' ' 143' ' ' LEU . 0.4 OUTLIER -85.31 -23.79 27.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.152 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.8 -64.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.214 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -63.24 -47.19 83.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.387 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -47.05 -46.16 22.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.325 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.433 ' HG ' ' HD1' ' A' ' 139' ' ' HIS . 40.4 mt -72.75 -47.09 49.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -56.12 -44.89 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.558 178.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.4 p -64.9 -16.92 63.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.558 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 20.6 mmm -98.29 -3.74 36.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.497 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.54 21.51 66.57 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.01 -0.836 . . . . 1.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.84 141.33 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 1.0 110.622 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.98 -49.05 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.186 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 43.5 t -130.2 118.77 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.032 -179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.4 p -132.72 144.21 50.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.884 0.374 . . . . 1.0 110.975 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.5 tt -103.76 131.91 50.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.081 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.603 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 2.8 t -112.72 132.25 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.057 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 166' ' ' LEU . 4.9 t -134.48 124.02 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.061 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.503 ' HD3' ' NE ' ' A' ' 101' ' ' ARG . 71.8 Cg_endo -78.08 149.8 25.76 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.935 2.423 . . . . 1.0 112.762 -175.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.1 mt -112.52 108.11 17.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.162 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.463 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 15.9 ptm -135.3 156.35 49.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.874 0.368 . . . . 1.0 110.677 -174.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.544 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 27.6 t60 -127.43 122.63 34.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.504 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 68.8 t60 63.12 -104.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -116.59 -4.74 11.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.46 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -102.58 149.42 24.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.669 -175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.3 tp -103.18 126.77 50.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.372 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 38.1 m95 -101.7 -43.68 5.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.686 -176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.99 -176.69 32.34 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.156 -0.778 . . . . 1.0 111.156 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.3 mp -138.28 136.3 36.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.861 0.362 . . . . 1.0 110.67 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.598 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.9 tp -102.58 151.78 21.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.129 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.463 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.6 p -157.58 137.43 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 1.0 111.069 -179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.51 131.98 54.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.106 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 169' ' ' HIS . 6.8 m-70 -104.5 131.33 52.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.996 0.427 . . . . 1.0 111.048 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -125.73 127.69 46.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.339 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.424 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -86.51 35.94 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.683 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 67.0 mt-10 -158.56 147.82 14.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.488 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.45 136.38 19.44 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.792 2.328 . . . . 1.0 112.251 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 51.1 ttt85 -172.71 130.92 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.416 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.0 166.03 27.38 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.824 2.349 . . . . 1.0 112.276 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -113.57 148.34 36.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.47 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 93.8 p -113.01 153.57 27.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.628 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -56.37 -37.84 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.421 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 -69.6 -54.99 11.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.386 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -35.79 82.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.414 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.8 tp -60.63 -38.65 85.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.312 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 186' ' ' LEU . 49.4 tt0 -60.16 -48.12 83.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.226 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.5 t -45.05 -52.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.038 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.8 t -74.26 -52.55 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.16 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -51.97 -34.82 44.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.931 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 182' ' ' GLN . 59.1 tp -75.74 -52.42 10.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.0 109.991 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 mt -50.39 -44.91 55.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.801 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.53 93.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.816 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -61.77 -37.72 85.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.739 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -68.21 -31.0 70.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.875 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.1 -48.68 27.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.025 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 -34.16 61.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 1.0 109.95 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -67.93 -32.82 57.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.114 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.06 -37.63 84.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.55 -33.56 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.229 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.544 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -75.23 -54.26 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.253 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.497 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.4 pt20 -63.84 -40.62 97.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.24 -176.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.53 -33.33 74.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.352 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.45 -44.63 72.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.429 -178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' A' ' 200' ' ' LEU . 42.3 mt -49.64 -34.64 18.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 12.7 m -53.82 -59.8 4.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.508 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.997 -1.001 . . . . 1.0 110.549 179.592 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.667 HBD2 ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -53.25 -32.3 47.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -76.44 -49.3 17.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.657 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 38' ' ' THR . 96.5 mt -57.77 -50.26 78.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.66 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' O ' ' OG1' ' A' ' 38' ' ' THR . 55.3 mt -56.92 -31.47 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.677 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.668 ' O ' HG12 ' A' ' 39' ' ' VAL . 23.8 ttm180 -64.07 -40.23 95.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.772 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.3 -27.16 59.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.565 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 60.5 p -66.33 -36.71 83.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.652 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.764 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 2.3 p -67.92 -27.62 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.749 -178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.13 -39.67 29.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.693 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -68.46 -54.85 14.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.675 -178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.585 HG23 ' N ' ' A' ' 43' ' ' ARG . 26.9 m -51.89 -46.21 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.4 ttm180 -45.84 -45.0 14.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.674 179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.82 78.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.577 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -60.66 -44.24 96.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mt -94.4 -9.92 34.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.469 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.01 26.92 0.94 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 36.9 m -75.1 142.45 43.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.807 0.336 . . . . 1.0 110.574 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -50.94 -43.27 60.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.453 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.536 HH21 HD13 ' A' ' 74' ' ' LEU . 14.7 mtt85 -144.08 135.69 25.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.952 -176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.56 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 9.1 p -143.74 133.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.925 -0.58 . . . . 1.0 109.897 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -135.29 149.64 49.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.001 0.429 . . . . 1.0 111.147 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 166' ' ' LEU . 58.8 t -101.01 137.33 28.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.717 -0.674 . . . . 1.0 109.904 176.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.522 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 23.3 t80 -116.73 116.39 27.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.943 0.401 . . . . 1.0 111.239 -177.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -94.58 136.18 35.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.048 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.39 138.54 38.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 1.0 110.926 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.572 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.9 m-20 -100.88 151.7 37.67 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.479 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.18 -45.52 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.827 2.351 . . . . 1.0 112.063 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -71.79 -8.15 52.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.589 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.89 -9.27 51.23 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.572 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.8 m80 -75.39 147.98 39.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 1.0 110.594 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.18 159.8 24.15 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.025 -0.83 . . . . 1.0 111.025 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.5 p -136.87 160.58 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 1.0 110.568 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.8 t -88.32 105.81 15.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.619 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.6 t -104.07 -5.94 9.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.447 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.44 122.53 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.536 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 65.1 tt0 -152.09 138.38 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.517 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' HB1' ' NH2' ' A' ' 43' ' ' ARG . . . -132.97 133.73 43.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.631 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.523 HH21 ' CB ' ' A' ' 76' ' ' SER . 7.5 ptp85 -107.59 135.68 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.664 -177.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.95 119.4 5.42 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.806 -0.918 . . . . 1.0 110.806 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.535 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 48.98 42.38 30.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 40.65 22.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 1.0 110.58 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' A' ' 71' ' ' GLY . 77.9 ttt180 -54.9 -46.28 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.615 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.536 HD13 HH21 ' A' ' 50' ' ' ARG . 5.5 mp -114.54 162.97 20.76 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.61 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.35 167.66 24.56 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.736 2.29 . . . . 1.0 111.995 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.523 ' CB ' HH21 ' A' ' 69' ' ' ARG . 25.5 t -97.92 122.23 40.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.612 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.608 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 27.9 mt -96.13 12.11 31.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.409 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.13 136.92 57.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.492 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.14 -8.5 76.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 77' ' ' LEU . 84.5 mt -85.86 146.95 26.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 1.0 110.495 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.6 t -106.94 136.48 46.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.437 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -103.53 140.95 21.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.492 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -70.77 137.05 31.71 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.746 2.297 . . . . 1.0 112.168 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.18 90.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.824 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.11 -16.67 1.4 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -67.83 -27.65 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 1.0 110.543 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.637 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.2 mm -106.74 105.3 54.58 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.521 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.637 ' O ' ' O ' ' A' ' 87' ' ' ILE . 84.6 Cg_exo -47.12 -131.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.961 2.441 . . . . 1.0 112.048 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -145.55 -53.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.606 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -53.32 -42.92 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.636 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.92 73.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.774 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -61.89 -36.96 82.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.7 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -62.58 -35.62 80.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.73 -36.0 75.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 89.8 m-85 -68.76 -32.57 72.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.7 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.588 ' C ' HE22 ' A' ' 99' ' ' GLN . 34.0 ttm180 -86.43 -20.36 28.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.785 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.704 ' N ' HE22 ' A' ' 99' ' ' GLN . 6.3 mt -101.9 -50.75 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.15 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 100' ' ' VAL . . . -103.97 -16.45 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.16 -173.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.866 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 44.13 52.69 6.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.82 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 99' ' ' GLN . 13.1 m -160.01 128.38 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.371 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' NH2' ' O1D' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -172.44 129.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.483 177.467 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.67 153.02 13.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.646 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.71 127.79 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.655 -179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG12 ' H ' ' A' ' 105' ' ' ASP . 6.5 t -84.34 172.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.49 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.655 ' H ' HG12 ' A' ' 104' ' ' VAL . 59.7 m-20 -50.4 115.14 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.502 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.455 HG13 ' CG1' ' A' ' 140' ' ' VAL . 38.7 t -50.45 -15.79 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.9 tt0 -74.2 -36.93 64.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.74 -15.8 33.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.462 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 54.05 66.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.73 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 125.09 41.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.292 176.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -111.87 140.57 46.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 1.0 111.016 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.471 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -126.44 162.43 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.813 178.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -164.08 171.02 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.938 0.399 . . . . 1.0 111.04 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.8 m -76.16 170.12 16.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.363 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 117' ' ' GLU . 60.7 mt-30 -156.12 148.69 17.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.665 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -40.54 -25.18 0.17 Allowed 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.925 2.416 . . . . 1.0 112.008 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 115' ' ' GLN . 95.5 mt-10 -80.6 -174.11 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.625 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.3 t 63.44 52.58 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.539 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -81.97 -22.17 36.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.564 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.12 -34.13 0.52 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.4 tp -89.19 136.31 33.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 1.0 110.596 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.7 t -139.34 -152.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.441 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.59 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -78.25 -4.48 48.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.566 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 68.1 -33.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.532 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.59 ' H ' ' C ' ' A' ' 123' ' ' ALA . 17.6 t -135.16 132.46 20.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -45.5 123.62 5.82 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.752 2.302 . . . . 1.0 112.118 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 65.9 tp -177.43 132.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.44 40.06 24.36 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -111.23 108.36 57.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.942 0.401 . . . . 1.0 110.555 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.4 160.97 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.959 2.439 . . . . 1.0 112.261 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.415 ' O ' ' OH ' ' A' ' 176' ' ' TYR . 54.2 mt -71.61 -28.0 63.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.504 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.79 132.32 46.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -122.46 141.36 34.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.573 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.16 142.07 18.98 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.927 2.418 . . . . 1.0 112.26 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 135' ' ' VAL . 33.6 m -114.96 127.49 72.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.376 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.471 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -36.91 140.39 0.44 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.784 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -45.22 -40.99 16.82 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.967 2.445 . . . . 1.0 111.788 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.499 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -53.34 -29.86 36.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.56 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.58 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 4.1 t60 -88.18 -28.9 20.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.14 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.455 ' CG1' HG13 ' A' ' 106' ' ' VAL . 90.1 t -59.92 -49.64 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.235 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -65.91 -45.89 80.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.389 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -45.89 -41.57 11.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.269 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 80.6 mt -75.23 -42.21 55.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.428 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -56.95 -45.23 82.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.558 177.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.3 t -63.13 -15.77 57.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.564 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 50.9 mmm -98.0 -1.22 43.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.9 20.9 72.52 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 82.7 t -107.1 140.96 23.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.843 0.354 . . . . 1.0 110.696 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.85 -50.42 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.163 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.2 p -132.45 115.21 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.054 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 22.5 p -131.99 145.33 51.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.02 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.9 mp -101.67 130.57 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.074 178.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 27.9 t -112.72 106.67 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.963 0.411 . . . . 1.0 111.018 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 16.5 t -109.67 122.34 39.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.023 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.77 153.26 33.44 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.911 2.407 . . . . 1.0 112.765 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 55.8 mt -115.72 110.26 18.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.103 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.441 ' HB3' HD12 ' A' ' 162' ' ' LEU . 0.5 OUTLIER -134.55 156.05 49.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 1.0 110.698 -175.246 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.63 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 43.0 t60 -123.35 122.21 37.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.493 176.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.629 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 7.1 m-70 59.87 -99.58 0.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.555 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -119.12 -6.69 10.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -100.3 149.61 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.726 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 157' ' ' MET . 21.5 tp -102.1 125.76 48.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.47 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -101.56 -44.73 5.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.648 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.522 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.31 -177.87 33.8 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.266 -0.734 . . . . 1.0 111.266 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 54' ' ' TYR . 32.6 mt -134.79 137.42 43.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 1.0 110.709 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.493 ' CD1' HG22 ' A' ' 53' ' ' VAL . 9.8 tp -103.46 150.07 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.187 177.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.412 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 12.3 p -160.14 138.77 2.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 1.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.42 ' OG ' ' CB ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -115.56 138.61 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.151 177.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.521 ' O ' ' CG2' ' A' ' 48' ' ' THR . 10.4 m-70 -104.73 121.91 44.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.029 -177.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.54 115.21 24.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.383 178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -87.11 21.08 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.563 -177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -150.66 113.06 3.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.532 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.71 114.27 0.5 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.835 2.357 . . . . 1.0 112.262 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 62.9 mtp85 -151.92 102.03 2.85 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.17 156.76 7.26 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.859 2.373 . . . . 1.0 112.224 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.415 ' OH ' ' O ' ' A' ' 131' ' ' LEU . 24.1 p90 -106.85 149.62 27.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.456 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -86.18 151.76 23.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.62 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -63.56 -32.74 74.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.428 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -75.63 -49.07 19.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.358 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 184' ' ' VAL . 78.6 mm-40 -67.17 -29.44 69.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.386 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.0 -43.0 81.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.343 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -75.39 -49.8 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.238 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 77.1 t -44.9 -49.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.047 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.68 HG23 ' N ' ' A' ' 185' ' ' GLN . 20.7 m -74.42 -51.32 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.168 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.68 ' N ' HG23 ' A' ' 184' ' ' VAL . 63.8 tt0 -48.04 -33.9 8.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.133 -0.485 . . . . 1.0 109.99 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.4 -42.83 64.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.966 178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 54.4 tp -50.68 -44.15 57.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 1.0 109.821 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.89 96.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.837 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -59.24 -36.97 76.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.922 -0.581 . . . . 1.0 109.756 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . 0.419 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 1.4 tm0? -68.97 -30.77 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.807 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.2 t -75.82 -48.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.087 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.2 m -52.95 -31.2 39.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.047 -0.524 . . . . 1.0 109.952 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.9 mt -69.2 -34.85 65.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.125 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.55 -38.87 88.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.265 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.9 mt -55.78 -47.31 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.245 177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.63 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -65.03 -48.02 75.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.332 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.8 -47.58 85.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.194 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.63 72.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.307 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -55.22 -45.83 75.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.425 -178.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.8 tp -49.03 -37.95 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.363 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 9.8 m -51.67 -59.9 3.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.553 179.639 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.755 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.2 tp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.851 0.357 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -52.01 -31.79 31.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.619 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.82 -48.59 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.784 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.721 ' O ' HG23 ' A' ' 38' ' ' THR . 21.5 mm -56.7 -51.97 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.685 179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' ' 38' ' ' THR . 91.3 mt -56.4 -33.97 66.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.583 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.537 ' O ' HG12 ' A' ' 39' ' ' VAL . 55.0 ttp180 -64.02 -43.27 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.788 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.64 -26.82 60.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.781 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.0 p -68.19 -36.98 80.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.646 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.615 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.13 -24.13 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.719 -178.625 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.73 -38.6 64.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.714 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.71 -32.94 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.722 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 38' ' ' THR . 52.7 t -63.04 -57.78 10.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.777 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.754 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 ptm180 -47.2 -42.01 19.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.735 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.43 -47.61 81.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.624 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.28 -42.54 99.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.554 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 mt -93.91 -14.56 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.555 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.754 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 50.95 25.7 10.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -76.25 142.59 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.873 0.368 . . . . 1.0 110.607 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -48.58 -44.12 36.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.502 -177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 54.2 ttt85 -145.66 133.67 21.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.876 -176.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -144.16 132.03 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.94 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.6 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 12.6 pttm -137.09 153.16 50.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.041 0.448 . . . . 1.0 111.22 -176.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.704 HG22 ' CD1' ' A' ' 166' ' ' LEU . 46.0 t -97.34 139.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 1.0 109.863 176.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 165' ' ' LEU . 4.9 t80 -123.14 122.0 37.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 1.0 111.22 -177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -96.38 133.46 40.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.008 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CE1' ' O ' ' A' ' 57' ' ' ASP . 57.9 t80 -96.77 125.81 41.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 1.0 110.871 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.532 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 2.7 m-20 -90.44 151.88 44.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.461 178.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.94 -19.52 62.98 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.846 2.364 . . . . 1.0 112.061 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -90.76 -2.86 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -17.29 56.76 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 65.6 m80 -74.99 144.35 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.332 . . . . 1.0 110.618 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.454 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -130.23 151.75 19.53 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.3 p -132.24 155.6 48.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.339 . . . . 1.0 110.517 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.5 t -94.97 111.8 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.668 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.24 -1.48 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.414 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.615 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.69 129.65 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.586 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.678 ' OE1' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -161.79 141.6 10.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.398 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.68 144.36 47.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.66 178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.509 HH21 ' CB ' ' A' ' 76' ' ' SER . 3.5 ptp85 -125.64 141.49 51.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.478 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.53 119.0 6.36 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.544 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 61.38 39.57 97.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 40.48 21.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 1.0 110.596 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.8 ttm180 -59.84 -44.7 93.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.523 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -111.2 146.61 34.9 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.518 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.72 165.68 31.66 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.846 2.364 . . . . 1.0 112.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.509 ' CB ' HH21 ' A' ' 69' ' ' ARG . 45.5 p -96.11 135.48 37.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.709 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 16.1 mt -106.55 8.02 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.408 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.678 HD13 ' OE1' ' A' ' 67' ' ' GLU . 9.6 tp -52.75 129.41 29.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -13.58 64.59 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 176.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 77' ' ' LEU . 44.9 mt -80.73 141.16 35.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 1.0 110.565 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -113.22 152.62 29.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.508 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 18.2 m-85 -113.85 143.45 29.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.463 179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.439 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 36.5 Cg_endo -71.82 146.4 47.95 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.755 2.303 . . . . 1.0 112.052 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -73.3 -38.95 65.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.801 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -18.05 1.02 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.522 ' O ' HG23 ' A' ' 87' ' ' ILE . 33.1 p-10 -63.22 -35.96 82.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 1.0 110.505 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.522 HG23 ' O ' ' A' ' 86' ' ' ASP . 4.5 pt -157.13 139.88 10.73 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.552 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' C ' ' N ' ' A' ' 90' ' ' GLU . 71.7 Cg_endo -79.05 150.59 23.28 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.905 2.404 . . . . 1.0 112.137 174.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' HA ' HH11 ' A' ' 92' ' ' ARG . 95.9 mt-10 -48.91 -16.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 -178.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 88' ' ' PRO . 86.4 tt0 -47.08 -50.99 18.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.588 -178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -66.19 -28.04 68.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.795 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.438 HH11 ' HA ' ' A' ' 89' ' ' GLU . 79.8 mtt85 -72.93 -28.64 62.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.717 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.404 HH21 ' HG3' ' A' ' 90' ' ' GLU . 63.1 mtm180 -67.94 -49.71 60.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.573 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 7.1 mt -55.12 -38.87 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.571 -178.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.641 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 6.9 m-85 -69.28 -22.82 63.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.71 179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.525 ' C ' HE21 ' A' ' 99' ' ' GLN . 56.9 ttp180 -93.91 -22.4 18.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.83 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 18.0 mt -89.04 -46.8 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.174 -177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.28 -15.79 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.221 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.632 ' O ' HG13 ' A' ' 100' ' ' VAL . 9.5 mp0 44.26 56.45 4.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.864 -178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.8 m -160.06 123.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.347 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -177.68 130.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.507 177.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.505 ' O ' ' NH2' ' A' ' 101' ' ' ARG . 4.0 m -144.13 155.98 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.579 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.549 HD13 HD11 ' A' ' 143' ' ' LEU . 41.6 mt -105.86 129.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 -178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.694 HG12 ' H ' ' A' ' 105' ' ' ASP . 7.9 t -85.04 173.16 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.4 -177.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.694 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.8 t0 -51.02 117.03 2.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.517 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.2 t -51.03 -16.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.2 tt0 -71.87 -37.64 70.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.396 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.22 -13.7 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 52.93 69.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.741 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.7 m -91.09 120.54 32.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.269 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -109.32 138.2 46.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 1.0 110.952 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.54 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.6 p -115.72 147.05 41.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.828 -0.623 . . . . 1.0 109.862 177.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.8 mt -147.25 153.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.969 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.8 t -77.09 169.23 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.432 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -160.29 72.97 3.0 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.665 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_exo -47.25 108.02 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.839 2.36 . . . . 1.0 112.043 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -171.21 -72.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.495 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 84.0 p -155.76 151.65 27.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.565 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 26.3 p90 -151.2 169.66 21.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.89 127.66 35.55 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.48 -35.46 72.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 1.0 110.552 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 t 170.05 -67.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.54 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.87 -23.36 43.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.554 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 56.24 -153.07 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.573 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.83 153.09 76.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.554 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.594 ' O ' ' C ' ' A' ' 127' ' ' LEU . 30.3 Cg_endo -64.07 126.63 17.57 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.785 2.323 . . . . 1.0 112.117 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.594 ' C ' ' O ' ' A' ' 126' ' ' PRO . 50.0 mt 23.16 -113.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.564 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.42 7.3 87.98 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -153.7 154.21 29.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 1.0 110.659 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.484 ' C ' ' H ' ' A' ' 132' ' ' GLN . 82.1 Cg_exo -47.05 140.41 13.82 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.92 2.413 . . . . 1.0 112.198 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.5 mt -70.19 12.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.459 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.484 ' H ' ' C ' ' A' ' 130' ' ' PRO . 30.8 mt-30 -124.93 129.0 49.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 31.4 mtm-85 -132.6 151.06 77.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.638 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -75.53 142.75 26.67 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.908 2.406 . . . . 1.0 112.329 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 135' ' ' VAL . 21.9 m -116.98 130.11 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.41 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.54 ' N ' ' OG ' ' A' ' 112' ' ' SER . 11.2 t70 -41.71 138.32 1.74 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.695 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -41.54 -18.11 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.942 2.428 . . . . 1.0 111.769 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.951 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.6 OUTLIER -63.41 -40.15 96.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.561 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -84.68 -30.07 25.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.119 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 36.5 t -58.41 -60.45 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.165 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.492 ' CE1' ' OG ' ' A' ' 145' ' ' SER . 30.5 t-80 -61.57 -43.65 98.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.358 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -45.94 -41.07 11.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.276 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.549 HD11 HD13 ' A' ' 103' ' ' ILE . 15.3 mt -74.54 -43.96 53.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.434 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.492 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 37.4 m -63.43 -17.47 62.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.547 177.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 24.5 mmm -95.56 -0.04 52.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.452 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.83 21.86 73.35 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.1 t -109.43 142.71 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 1.0 110.678 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.07 -42.33 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.207 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 54.2 p -137.97 122.01 17.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.096 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -130.88 141.37 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.388 . . . . 1.0 110.973 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 152' ' ' LEU . 7.8 mp -104.13 135.29 45.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.044 178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.5 t -111.87 125.31 69.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 1.0 110.998 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.2 t -130.94 114.48 16.44 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.977 178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 165' ' ' LEU . 74.4 Cg_endo -75.02 153.61 41.8 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.007 2.471 . . . . 1.0 112.755 -174.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 48.3 mt -116.59 110.71 18.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.09 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.6 ptm -137.42 162.74 32.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 1.0 110.712 -176.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 49.0 t-80 -145.86 122.58 11.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.466 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 59.2 t60 77.18 -115.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.516 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -117.72 -4.1 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.447 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.456 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 15.6 pt-20 -106.03 157.53 17.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.63 -177.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -108.02 129.79 55.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.457 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.456 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 16.6 m95 -101.4 -42.25 6.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.734 -177.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.47 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.48 -176.66 35.66 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.4 mp -139.76 142.82 36.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 1.0 110.72 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.704 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.4 tp -105.94 155.39 19.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.124 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.7 p -160.88 137.26 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 1.0 111.027 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 2.1 p -117.42 134.47 54.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.136 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -117.05 136.42 52.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.964 0.412 . . . . 1.0 111.101 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -135.1 150.26 50.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.363 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.41 -21.81 45.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.662 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -113.02 157.5 40.55 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.454 ' O ' ' O ' ' A' ' 174' ' ' ARG . 10.0 Cg_endo -50.15 -71.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.89 2.393 . . . . 1.0 112.222 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 173' ' ' PRO . 44.6 ttt85 50.66 103.1 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.99 0.424 . . . . 1.0 110.431 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -80.51 165.95 20.26 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.829 2.353 . . . . 1.0 112.189 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -107.25 140.04 40.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.461 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 21.9 t -88.59 152.98 21.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.671 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -55.19 -35.5 64.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.445 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 183' ' ' VAL . 47.1 mp0 -75.35 -47.49 27.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.444 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.4 -31.94 73.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.373 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 181' ' ' LEU . 1.4 tt -55.5 -56.88 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.289 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -63.89 -48.6 76.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.187 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 179' ' ' GLU . 53.7 t -45.51 -51.27 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.126 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 68.2 t -74.77 -53.51 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.16 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -48.38 -36.44 14.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.999 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 41.3 tp -73.54 -43.38 60.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.967 -0.561 . . . . 1.0 109.994 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.3 tp -52.11 -45.71 64.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.788 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.89 -45.13 95.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.767 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -58.69 -35.54 72.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.78 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -71.5 -28.63 64.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.855 -0.612 . . . . 1.0 109.825 178.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.87 -49.72 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.127 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.3 p -53.69 -32.54 52.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.019 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 35.1 mt -68.05 -33.04 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.106 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.87 81.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.262 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.4 mt -55.65 -53.23 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.218 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.502 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -63.66 -47.44 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.292 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.84 -46.22 91.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.263 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.42 73.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.271 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -52.73 -41.94 64.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.465 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -48.56 -35.66 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.401 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 25.4 t -54.51 -61.23 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.047 -0.977 . . . . 1.0 110.53 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.951 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.852 0.358 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 67.4 t0 -48.88 -32.83 9.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.701 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -77.42 -48.33 17.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.643 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mm -60.14 -46.5 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.58 ' O ' ' OG1' ' A' ' 38' ' ' THR . 28.6 mt -58.66 -32.05 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.614 -178.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 39' ' ' VAL . 60.9 ttp180 -64.87 -39.83 94.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.744 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.36 -26.55 58.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.709 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 42' ' ' VAL . 43.6 p -66.6 -38.08 86.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.654 -178.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.632 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -71.91 -24.4 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.753 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -75.18 -41.51 57.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.694 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -77.46 -33.51 54.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.768 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 38' ' ' THR . 34.7 t -64.16 -59.22 4.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.749 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.691 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ptm180 -47.59 -41.71 22.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.698 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -55.42 -45.03 76.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.688 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -64.05 -39.75 94.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.614 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.547 HD21 HG21 ' A' ' 184' ' ' VAL . 10.7 mt -94.03 -11.62 30.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.509 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.691 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.91 27.3 20.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.1 142.31 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 1.0 110.618 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 46.0 p-10 -61.88 -31.62 71.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -177.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 14.5 ttt180 -144.16 123.5 13.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.93 -176.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 t -141.67 130.09 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.914 175.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.583 ' HZ2' ' HB2' ' A' ' 77' ' ' LEU . 43.4 mttt -134.47 151.07 50.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.032 0.444 . . . . 1.0 111.211 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 166' ' ' LEU . 59.1 t -98.96 137.82 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.782 -0.645 . . . . 1.0 109.882 175.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 165' ' ' LEU . 20.9 t80 -118.17 117.17 28.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.998 0.427 . . . . 1.0 111.204 -177.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -97.34 137.79 35.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.819 -0.628 . . . . 1.0 109.973 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.591 ' CD2' ' NH2' ' A' ' 92' ' ' ARG . 0.3 OUTLIER -100.52 137.92 38.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 1.0 110.938 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.5 m-20 -101.04 151.79 37.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.494 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -41.6 -45.84 6.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.781 2.321 . . . . 1.0 112.105 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -71.8 -8.42 54.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.55 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -9.25 50.68 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.565 ' O ' ' N ' ' A' ' 57' ' ' ASP . 74.2 m80 -75.7 149.19 38.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 1.0 110.682 179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.424 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.99 159.37 23.94 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 p -135.96 159.74 40.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 1.0 110.581 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.1 t -88.68 106.11 16.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -104.01 -5.61 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.4 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.632 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.01 124.18 6.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.545 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -156.36 139.63 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.487 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.48 142.51 45.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.656 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -125.33 142.95 51.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.642 -178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -102.32 140.01 14.67 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.538 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.19 36.43 1.31 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.836 -0.906 . . . . 1.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 48.6 mp0 41.34 20.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 1.0 110.667 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 71' ' ' GLY . 19.6 tpt180 -57.25 -43.92 83.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.581 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.58 148.13 37.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.53 160.32 50.21 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.786 2.324 . . . . 1.0 112.084 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -95.08 117.28 29.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.708 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 37.8 mt -95.88 14.35 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.413 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 tp -64.73 136.5 57.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.0 -7.51 80.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 77' ' ' LEU . 77.8 mt -87.02 146.95 25.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.71 0.291 . . . . 1.0 110.62 178.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.5 t -107.11 137.83 44.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.381 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -105.38 140.46 21.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.414 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -71.68 143.19 41.39 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.786 2.324 . . . . 1.0 112.137 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.45 89.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.824 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.9 -19.01 3.15 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -71.54 -25.89 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 39.7 mt -116.62 94.82 44.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.574 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 98.5 Cg_exo -41.41 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.836 2.357 . . . . 1.0 112.125 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 44.1 tp10 -161.27 -50.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -49.57 -44.36 46.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.633 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.45 76.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.799 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.591 ' NH2' ' CD2' ' A' ' 56' ' ' PHE . 76.5 ttt180 -65.43 -33.18 75.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.63 -179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -63.72 -38.21 90.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.611 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 10.0 mt -59.14 -36.39 75.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.579 -179.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 68.3 m-85 -67.83 -30.64 70.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.718 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -93.34 -22.19 19.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.831 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.718 HD22 ' O ' ' A' ' 122' ' ' SER . 34.9 mt -91.46 -49.64 6.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.196 -175.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.13 -12.98 11.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.209 -175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.627 ' O ' HG13 ' A' ' 100' ' ' VAL . 6.2 mp0 44.84 56.94 4.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.831 -178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.7 m -160.31 122.32 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.397 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -172.6 133.36 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.522 177.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.2 p -144.77 155.18 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.6 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.431 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 53.0 mt -109.31 129.25 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.628 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.722 HG22 ' H ' ' A' ' 105' ' ' ASP . 5.4 p -86.33 174.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.408 -176.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.722 ' H ' HG22 ' A' ' 104' ' ' VAL . 66.1 t0 -51.57 116.32 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 106' ' ' VAL . 37.5 t -50.71 -13.11 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.519 179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 105' ' ' ASP . 42.3 tp10 -76.94 -35.23 57.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.446 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.73 -14.29 8.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.452 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 53.81 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.76 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m -95.44 123.39 38.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.257 175.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -112.12 141.18 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.99 0.424 . . . . 1.0 110.957 -176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 t -134.21 110.42 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 1.0 109.876 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.745 HG22 ' N ' ' A' ' 114' ' ' SER . 67.1 mt -113.7 173.85 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.966 0.412 . . . . 1.0 110.989 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.745 ' N ' HG22 ' A' ' 113' ' ' ILE . 33.9 t -79.03 169.78 17.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.477 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -132.11 152.61 80.49 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.643 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.04 -36.9 27.97 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.83 2.354 . . . . 1.0 111.982 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -103.85 127.15 51.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.513 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.8 m -123.86 142.23 51.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.562 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -112.53 142.3 45.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.509 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.58 108.68 0.74 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.2 mt -81.39 138.98 35.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 1.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.718 ' O ' HD22 ' A' ' 97' ' ' LEU . 1.9 t 171.94 -56.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.469 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.635 ' O ' ' C ' ' A' ' 124' ' ' ARG . . . -79.52 -21.18 45.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.635 ' C ' ' O ' ' A' ' 123' ' ' ALA . 49.5 ttt85 -16.35 113.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.597 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.96 162.79 27.2 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.577 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -45.49 141.4 7.73 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.832 2.355 . . . . 1.0 112.068 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 127' ' ' LEU . 6.7 mp 55.39 -96.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.558 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 85.69 2.74 86.64 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -142.33 155.87 64.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.907 0.384 . . . . 1.0 110.562 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.566 ' C ' ' H ' ' A' ' 132' ' ' GLN . 84.6 Cg_exo -45.09 166.67 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.942 2.428 . . . . 1.0 112.27 178.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.5 mt -54.97 -2.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.456 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.566 ' H ' ' C ' ' A' ' 130' ' ' PRO . 40.0 mm-40 -132.9 137.73 46.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.541 -178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.7 mmm-85 -110.61 119.56 46.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.513 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.56 138.74 17.56 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.961 2.44 . . . . 1.0 112.256 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 136' ' ' ASP . 14.9 m -121.37 133.18 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.35 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.546 ' OD1' HMD2 ' A' ' 301' ' ' CYC . 0.4 OUTLIER -38.83 140.57 0.65 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.712 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -45.05 -33.63 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.997 2.465 . . . . 1.0 111.71 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.483 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -59.94 -32.0 70.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.546 -178.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.538 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 2.4 t60 -86.87 -32.02 20.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.178 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.18 -53.35 44.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.229 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -62.45 -44.23 96.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.4 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -45.5 -42.99 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.335 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.57 -42.72 58.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.508 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -55.53 -44.65 76.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.577 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.6 m -63.78 -17.29 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.529 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.2 mmm -95.21 -3.21 48.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.475 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.7 21.09 69.7 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.99 -0.844 . . . . 1.0 110.99 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.14 139.24 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.841 0.353 . . . . 1.0 110.686 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.08 -53.77 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.252 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.7 p -129.59 114.56 16.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.034 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.6 p -130.84 144.34 51.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.943 0.401 . . . . 1.0 110.992 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.0 tp -101.73 133.95 45.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.05 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.25 128.85 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.082 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 37.0 t -133.2 123.86 18.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 1.0 109.987 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.98 150.74 18.23 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.916 2.41 . . . . 1.0 112.773 -175.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.9 mt -115.22 108.19 16.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.161 175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.8 ptm -137.02 154.67 50.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 1.0 110.695 -174.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.58 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 67.9 t60 -135.79 123.03 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.448 177.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.5 t60 78.34 -116.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.49 -177.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.59 -3.75 11.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.449 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -106.38 158.81 16.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.627 -176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 28.9 tp -106.53 128.56 54.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.475 177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -99.11 -41.59 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.7 -177.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.59 -176.8 32.06 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.227 -0.749 . . . . 1.0 111.227 -176.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -137.28 134.16 35.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 1.0 110.812 -179.374 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.582 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -104.21 152.6 21.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.131 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -161.52 139.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.946 0.403 . . . . 1.0 111.043 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.6 p -118.49 133.78 55.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.171 177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.459 ' ND1' ' NE ' ' A' ' 50' ' ' ARG . 25.9 m80 -109.74 134.31 52.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.948 0.404 . . . . 1.0 111.047 -177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -128.45 130.08 47.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.372 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -84.26 35.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.626 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -157.67 149.59 17.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.538 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 174' ' ' ARG . 37.9 Cg_endo -67.31 -4.45 11.81 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.794 2.329 . . . . 1.0 112.187 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.464 ' C ' ' O ' ' A' ' 173' ' ' PRO . 50.8 ttt85 -34.82 99.66 0.17 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.367 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.408 ' N ' ' O ' ' A' ' 173' ' ' PRO . 50.7 Cg_exo -54.79 163.17 4.22 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.801 2.334 . . . . 1.0 112.228 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.92 146.27 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.389 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.5 m -87.73 151.15 23.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -68.53 -25.12 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.48 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 183' ' ' VAL . 96.2 mt-10 -70.41 -56.26 7.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.409 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 184' ' ' VAL . 96.7 mt-10 -67.28 -26.73 66.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.351 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 56.8 tp -54.26 -51.65 63.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.309 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.33 -54.78 9.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.258 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 179' ' ' GLU . 65.4 t -43.8 -41.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.1 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 180' ' ' GLU . 97.4 t -75.63 -50.17 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.15 179.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -48.99 -36.89 18.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.894 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.9 -44.3 61.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.982 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 191' ' ' VAL . 61.0 tp -50.22 -45.09 53.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 109.809 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.33 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.731 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -61.46 -37.98 85.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 1.0 109.789 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -68.07 -31.08 70.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.842 178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 187' ' ' LEU . 67.4 t -75.72 -49.16 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.04 178.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 22.4 p -52.83 -30.58 34.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.989 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.5 mt -68.53 -35.57 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.133 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.39 87.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.298 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.6 mt -54.77 -54.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.225 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.58 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.46 -48.4 77.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.247 -178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.86 -47.54 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.254 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.02 -34.52 78.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.337 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -51.29 -40.04 58.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.9 mt -48.22 -31.13 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.385 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -53.86 -59.9 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.487 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.999 -1.001 . . . . 1.0 110.519 179.704 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.764 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -53.02 -32.12 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -77.99 -47.37 18.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.643 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 38' ' ' THR . 20.9 mm -57.65 -51.64 67.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.602 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' ' OG1' ' A' ' 38' ' ' THR . 85.4 mt -57.58 -37.35 73.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.642 -178.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' O ' HG12 ' A' ' 39' ' ' VAL . 74.7 mtt-85 -63.26 -42.89 99.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.793 -179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.59 -26.45 59.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.735 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.886 HG23 ' O ' ' A' ' 34' ' ' ILE . 79.2 p -70.44 -37.69 74.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.709 -178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.709 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -72.18 -24.36 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.705 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -72.61 -45.51 58.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -70.44 -37.38 74.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.718 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 38' ' ' THR . 55.2 t -57.48 -53.66 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.722 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 47' ' ' GLY . 67.1 ttp85 -51.82 -44.46 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.682 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.19 79.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.646 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.33 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.553 -177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.3 mt -94.3 -14.22 25.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.476 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.739 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.64 25.0 4.41 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -178.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 5.4 t -75.95 145.19 40.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 1.0 110.606 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' THR . 92.8 m-20 -39.95 -51.34 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.495 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.619 HH21 ' CG2' ' A' ' 148' ' ' VAL . 27.6 ptt180 -152.51 147.95 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.894 -177.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.2 p -145.75 135.58 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.928 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HZ1' ' NH1' ' A' ' 50' ' ' ARG . 28.6 mttp -134.9 149.56 50.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.09 0.471 . . . . 1.0 111.19 -175.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.72 HG22 ' CD1' ' A' ' 166' ' ' LEU . 46.5 t -99.34 138.24 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.881 176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.8 t80 -117.18 114.49 23.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.009 0.433 . . . . 1.0 111.179 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -93.75 136.16 34.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.997 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.454 ' CE2' ' NH1' ' A' ' 92' ' ' ARG . 0.2 OUTLIER -100.87 139.35 36.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.888 0.375 . . . . 1.0 110.885 -178.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.4 m-20 -101.74 151.05 37.84 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.473 178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -41.72 -45.43 6.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.842 2.361 . . . . 1.0 112.062 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -71.51 -7.7 49.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.04 55.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.2 m80 -74.2 147.3 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.344 . . . . 1.0 110.606 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.402 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.68 159.91 24.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.4 p -137.07 161.04 37.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.791 0.329 . . . . 1.0 110.566 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.2 t -90.37 107.01 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.654 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -106.06 -3.41 9.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.431 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.709 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.99 127.1 6.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -161.87 141.66 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.499 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.38 136.69 45.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.625 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -111.47 139.56 46.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.591 -177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.83 130.3 10.24 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.582 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.36 41.47 5.18 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 40.76 18.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 1.0 110.557 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 71' ' ' GLY . 96.5 mtt180 -54.75 -43.34 72.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.528 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 73' ' ' ARG . 8.5 mp -117.45 153.94 50.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.582 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.53 168.15 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.765 2.31 . . . . 1.0 112.087 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.4 p -98.35 146.42 25.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.633 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 80' ' ' LEU . 22.6 mt -114.8 15.45 17.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.48 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.85 133.67 53.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.517 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.34 -9.85 71.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 77' ' ' LEU . 74.8 mt -82.82 143.03 31.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 1.0 110.504 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 81' ' ' THR . 14.1 t -103.89 132.31 50.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.463 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.9 112.47 63.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.444 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -45.39 147.41 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 C-N-CA 122.753 2.302 . . . . 1.0 112.108 179.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.33 -42.65 75.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.76 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.56 -20.5 7.65 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -67.82 -6.18 20.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 110.509 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.3 mt -134.88 131.97 20.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.614 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.07 -113.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.896 2.397 . . . . 1.0 112.09 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -164.85 -49.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.574 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -49.22 -45.83 45.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.67 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.23 75.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.454 ' NH1' ' CE2' ' A' ' 56' ' ' PHE . 31.5 ttp180 -64.32 -32.57 74.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.695 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.7 mtm180 -63.92 -39.05 93.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.573 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.437 ' HB3' HH11 ' A' ' 101' ' ' ARG . 13.8 mt -58.06 -36.76 73.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.557 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.464 ' CE2' HBA2 ' A' ' 301' ' ' CYC . 75.1 m-85 -68.01 -29.98 69.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.702 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -93.32 -22.25 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.809 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.558 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 41.2 mt -90.74 -50.03 6.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.2 -175.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.8 -8.94 13.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.158 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.558 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 7.9 mp0 41.81 57.26 3.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.874 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.1 p -160.97 120.54 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -165.72 132.1 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.481 179.277 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.77 152.06 13.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.609 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 63.5 mt -108.2 126.89 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.624 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.679 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.4 p -84.84 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.459 -177.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.679 ' H ' HG22 ' A' ' 104' ' ' VAL . 40.9 m-20 -52.26 115.04 1.54 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.554 -179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 p -49.74 -14.99 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 105' ' ' ASP . 84.3 tt0 -73.44 -36.41 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.411 179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.17 -15.09 20.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.517 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 tp60 53.61 67.65 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.713 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.0 p -97.27 124.69 41.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.211 176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -113.66 143.0 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 111.046 -176.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.657 ' HG ' ' HA ' ' A' ' 135' ' ' VAL . 0.1 OUTLIER -121.7 156.16 33.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.864 177.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.564 HG22 ' N ' ' A' ' 114' ' ' SER . 40.7 mt -154.33 161.03 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 110.992 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.564 ' N ' HG22 ' A' ' 113' ' ' ILE . 66.9 m -76.33 172.03 13.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.422 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 113' ' ' ILE . 22.0 mp0 -143.92 151.8 53.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.591 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -40.05 -34.68 1.0 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.835 2.357 . . . . 1.0 112.05 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -136.76 160.69 38.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.49 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 97.6 p -119.55 149.08 42.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.57 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 25.1 p-90 -152.07 -170.92 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.07 64.53 0.68 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.8 mp -60.71 -34.47 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.359 . . . . 1.0 110.542 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 121' ' ' LEU . 4.3 p 72.25 -56.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.496 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.447 ' N ' ' OG ' ' A' ' 122' ' ' SER . . . -56.24 -6.72 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.547 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 122' ' ' SER . 52.3 ttm-85 -132.73 -45.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.528 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 72.2 t -117.39 95.98 48.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.595 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.63 171.97 1.72 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.78 2.32 . . . . 1.0 112.12 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.452 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 61.3 mt 49.06 -108.98 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.531 179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.75 -9.69 70.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -144.86 161.42 43.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 1.0 110.594 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.655 ' C ' ' H ' ' A' ' 132' ' ' GLN . 10.0 Cg_endo -50.53 168.75 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.948 2.432 . . . . 1.0 112.248 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.7 mt -62.44 12.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.492 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.655 ' H ' ' C ' ' A' ' 130' ' ' PRO . 53.9 mm-40 -140.36 159.61 41.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.538 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -128.7 86.09 58.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.624 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.448 ' O ' ' OG ' ' A' ' 112' ' ' SER . 50.8 Cg_exo -51.14 139.96 41.96 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.934 2.422 . . . . 1.0 112.272 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.657 ' HA ' ' HG ' ' A' ' 112' ' ' SER . 11.4 m -113.84 127.32 71.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.419 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.525 ' N ' ' OG ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -37.99 151.31 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.751 -179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -57.12 -27.62 75.12 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.964 2.443 . . . . 1.0 111.764 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.6 179.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.493 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 13.4 t60 -86.84 -26.53 23.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.138 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 56.5 t -57.57 -54.57 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.218 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -60.31 -44.79 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -47.47 -45.78 26.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.3 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 50.0 mt -72.98 -46.65 51.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.436 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.13 -44.7 75.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.538 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.5 p -63.29 -17.14 62.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.54 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 39.1 mmm -96.4 -2.25 45.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.472 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.5 23.5 67.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.619 ' CG2' HH21 ' A' ' 50' ' ' ARG . 69.0 t -104.69 137.5 33.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 1.0 110.66 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.34 -56.3 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.181 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.9 t -130.97 114.13 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.093 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.422 ' OG ' ' CG1' ' A' ' 148' ' ' VAL . 45.8 m -130.46 144.67 51.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.91 0.386 . . . . 1.0 110.986 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.2 tp -100.34 132.18 45.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.086 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.9 t -110.63 128.22 67.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 1.0 111.004 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.7 t -131.85 117.66 16.27 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.99 156.07 34.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.954 2.436 . . . . 1.0 112.815 -176.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.4 HD23 ' OG ' ' A' ' 192' ' ' SER . 25.3 mt -120.04 111.69 18.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.202 177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.1 ptm -133.6 152.97 52.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 1.0 110.69 -176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.56 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 56.6 t-80 -132.37 122.18 24.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.513 177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.526 ' ND1' ' N ' ' A' ' 160' ' ' GLN . 41.3 t-80 74.41 -113.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.515 -178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.526 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 14.3 pt20 -117.02 -5.81 11.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.465 -178.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 163' ' ' TRP . 10.2 pt-20 -106.14 161.71 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.633 -176.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.7 tp -108.97 130.07 55.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.417 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 161' ' ' GLU . 74.1 m95 -101.01 -41.68 6.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.685 -178.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.5 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.84 -175.65 34.09 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.171 -0.772 . . . . 1.0 111.171 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 mp -139.42 144.16 37.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.866 0.365 . . . . 1.0 110.672 -178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.72 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.9 tp -109.34 154.76 22.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.178 178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.77 140.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.908 0.385 . . . . 1.0 111.054 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.6 m -119.1 131.41 55.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.134 176.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.503 ' O ' ' OG1' ' A' ' 48' ' ' THR . 23.5 m80 -106.66 133.78 50.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.029 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -125.94 126.83 45.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.394 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.429 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -86.48 22.9 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.602 -178.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 66.5 mm-40 -152.48 151.1 26.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.582 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.28 132.95 27.06 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.839 2.359 . . . . 1.0 112.232 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -172.61 96.66 0.37 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.388 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.6 163.72 2.59 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.882 2.388 . . . . 1.0 112.177 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -115.71 148.58 39.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 181' ' ' LEU . 49.5 m -103.88 151.18 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.605 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.93 -40.71 89.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.438 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' A' ' 179' ' ' GLU . 47.9 mp0 -64.41 -55.82 18.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.442 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.44 -36.54 81.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.38 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 177' ' ' SER . 47.5 tp -62.11 -37.88 86.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.308 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -69.97 -52.52 23.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.234 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 71.4 t -44.44 -44.61 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.085 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 36.7 t -74.63 -50.39 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.164 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -47.89 -34.55 9.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.926 178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.82 -43.74 62.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.949 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.3 tp -51.29 -45.24 62.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.069 -0.514 . . . . 1.0 109.846 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.58 98.61 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.936 -0.574 . . . . 1.0 109.789 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -60.76 -36.64 79.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.708 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -68.85 -29.88 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.865 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.7 t -76.53 -48.4 27.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.879 -0.601 . . . . 1.0 110.069 178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.4 ' OG ' HD23 ' A' ' 156' ' ' LEU . 1.3 m -50.95 -28.37 9.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.958 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.58 -33.84 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.124 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.01 -41.95 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.25 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 196' ' ' ALA . 14.5 pt -67.61 -26.93 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.185 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.56 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.53 -54.58 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.19 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -36.57 82.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.276 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -67.32 -34.21 76.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.308 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -53.04 -42.34 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.473 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.401 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 46.5 mt -48.43 -35.82 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.401 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 31.2 t -49.88 -59.51 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.467 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.522 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.711 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.776 0.322 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -52.7 -30.9 34.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.598 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -77.19 -48.89 16.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.709 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 38' ' ' THR . 21.4 mm -57.42 -51.19 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.61 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.536 ' O ' ' OG1' ' A' ' 38' ' ' THR . 78.1 mt -57.33 -32.12 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.595 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.609 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.9 ttp180 -64.63 -41.51 96.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.746 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.0 -26.91 59.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.717 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 34' ' ' ILE . 61.4 p -66.79 -36.87 83.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.669 -178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.7 p -71.12 -25.14 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.715 -179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 77.6 mm-40 -69.98 -37.57 75.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.725 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -78.99 -40.73 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 38' ' ' THR . 44.4 t -53.8 -58.19 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.768 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 18.6 ptt180 -49.82 -43.4 48.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.742 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.51 -48.78 78.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.655 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -62.93 -42.83 99.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.504 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -93.89 -12.25 29.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.493 -178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.21 26.3 12.89 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 ' CE1' ' A' ' 170' ' ' HIS . 33.0 m -75.43 140.0 42.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 1.0 110.574 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -53.58 -41.18 66.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.485 -177.189 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.695 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 16.0 ttt-85 -144.12 130.53 19.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.92 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.8 p -148.85 134.34 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.94 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.455 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 2.6 pttt -138.52 157.29 46.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.058 0.456 . . . . 1.0 111.188 -177.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 166' ' ' LEU . 76.7 t -99.25 139.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.916 177.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 165' ' ' LEU . 14.7 t80 -121.15 121.11 37.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.972 0.415 . . . . 1.0 111.194 -178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -98.64 139.04 34.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.024 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 135.29 42.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.829 0.347 . . . . 1.0 110.945 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.574 ' N ' ' O ' ' A' ' 61' ' ' HIS . 3.9 m-20 -98.43 151.99 37.73 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.5 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.73 -45.01 6.66 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.884 2.389 . . . . 1.0 112.02 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.2 -10.29 59.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 105.64 -8.08 43.1 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.574 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.5 m80 -77.2 149.5 35.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 1.0 110.61 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -137.41 162.06 25.37 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.4 p -136.42 159.56 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 80' ' ' LEU . 9.8 p -94.29 110.47 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.604 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -110.1 -0.74 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.657 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.14 129.34 8.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.549 -178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.539 ' OE2' ' N ' ' A' ' 78' ' ' LEU . 9.5 pt-20 -164.94 143.52 6.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.441 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HH11 ' A' ' 43' ' ' ARG . . . -134.53 144.83 48.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.677 178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtm105 -111.52 135.12 52.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.632 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -88.56 117.8 4.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 49.77 40.84 34.44 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 41.99 41.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 1.0 110.679 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -81.16 -47.18 13.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.489 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mt -107.02 135.05 19.62 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.555 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -50.8 162.04 1.17 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.821 2.347 . . . . 1.0 112.057 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.44 ' HA ' HH21 ' A' ' 50' ' ' ARG . 22.4 p -90.27 127.1 36.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.624 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.695 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 33.0 mt -106.02 10.48 32.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.446 179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.539 ' N ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 tp -59.25 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.474 -177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.552 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 89.23 -7.1 82.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 64' ' ' VAL . 83.6 mt -85.76 140.17 30.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 1.0 110.52 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -104.99 139.82 39.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.482 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -109.41 139.43 21.09 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.459 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.518 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 38.2 Cg_endo -73.15 148.04 43.68 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.761 2.308 . . . . 1.0 112.184 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' O ' ' OD1' ' A' ' 86' ' ' ASP . . . -72.38 -33.11 66.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.842 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.46 -16.27 0.32 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.518 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 21.1 p-10 -63.01 -11.97 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.382 . . . . 1.0 110.494 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.581 HG21 HBA2 ' A' ' 301' ' ' CYC . 3.4 pt -149.08 106.12 3.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.517 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.438 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 93.7 Cg_exo -41.58 -86.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.875 2.384 . . . . 1.0 112.163 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.438 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.6 tt0 -173.54 -23.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.525 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.76 -46.45 65.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.602 -179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.37 -40.55 77.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.764 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -62.86 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.705 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -63.33 -37.7 88.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.38 -37.05 76.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.589 -178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.514 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 84.4 m-85 -66.77 -30.19 70.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.681 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.446 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 61.0 mtp180 -89.56 -23.9 21.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.543 ' C ' HE22 ' A' ' 99' ' ' GLN . 19.6 mt -97.14 -50.84 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.219 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.512 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -105.67 -13.89 15.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.226 -174.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.769 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 42.67 55.71 4.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.788 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 100' ' ' VAL . 14.6 p -160.72 123.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.391 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -170.43 128.89 0.84 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.485 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -146.0 153.49 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.62 129.12 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.626 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.669 HG12 ' H ' ' A' ' 105' ' ' ASP . 8.2 t -85.68 172.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.474 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.669 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.5 t0 -52.29 117.52 2.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.542 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.569 HG23 ' CG1' ' A' ' 140' ' ' VAL . 14.1 p -48.9 -15.46 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 105' ' ' ASP . 83.8 tt0 -74.53 -37.7 62.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.441 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.91 -17.49 56.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.49 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 54.28 66.7 1.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.711 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.5 m -90.93 124.28 35.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.261 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -109.87 136.35 49.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.956 0.407 . . . . 1.0 111.023 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.84 152.26 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.937 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 114' ' ' SER . 51.1 mt -152.78 160.04 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.951 0.405 . . . . 1.0 110.989 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.543 ' N ' HG22 ' A' ' 113' ' ' ILE . 36.5 t -73.95 173.84 9.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.368 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -171.61 73.6 0.5 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.633 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -75.5 -1.35 11.21 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.829 2.352 . . . . 1.0 112.067 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -61.75 -31.56 71.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.486 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.9 t -107.87 145.88 33.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.51 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -70.22 141.39 52.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.52 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 151.44 34.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.675 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.6 mp -82.76 1.2 40.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.76 0.314 . . . . 1.0 110.508 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.473 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 34.5 t -126.32 -99.8 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -53.23 -22.4 6.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.583 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 58.78 179.64 0.07 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.543 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.1 t -90.24 130.19 42.89 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.612 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -74.34 134.38 18.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.791 2.327 . . . . 1.0 112.084 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.417 ' CG ' ' H ' ' A' ' 128' ' ' GLY . 5.7 tp 42.1 -126.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.534 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' A' ' 127' ' ' LEU . . . 60.33 35.94 89.66 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -145.69 151.49 46.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.372 . . . . 1.0 110.616 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.608 ' C ' ' H ' ' A' ' 132' ' ' GLN . 38.8 Cg_endo -67.42 169.04 16.41 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.978 2.452 . . . . 1.0 112.194 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.3 mt -61.03 6.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.497 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 130' ' ' PRO . 33.3 mt-30 -139.27 141.33 37.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.531 -178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -116.18 126.27 27.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.6 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -77.94 140.9 18.55 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.901 2.401 . . . . 1.0 112.34 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 136' ' ' ASP . 3.7 m -116.99 129.25 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.381 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 135' ' ' VAL . 0.8 OUTLIER -38.95 140.69 0.66 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.75 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -45.15 -41.73 16.48 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.96 2.44 . . . . 1.0 111.792 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.455 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -53.56 -32.05 49.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.595 -178.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.599 ' CD2' ' ND ' ' A' ' 301' ' ' CYC . 16.9 t-80 -86.97 -29.6 21.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.143 178.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.569 ' CG1' HG23 ' A' ' 106' ' ' VAL . 93.3 t -59.53 -48.82 85.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.233 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -64.81 -45.07 87.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.335 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -44.52 -40.57 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.303 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.79 -40.6 47.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.447 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -58.94 -44.6 91.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.509 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.6 t -61.99 -15.51 44.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.639 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.0 mmm -97.28 4.2 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.497 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.02 22.54 73.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.9 t -108.93 143.21 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 1.0 110.635 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.28 -33.19 5.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.19 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.4 p -148.09 120.22 8.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.089 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 p -130.47 142.95 50.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.976 0.417 . . . . 1.0 110.937 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 5.8 tt -108.08 134.27 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.067 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.463 HG21 HH12 ' A' ' 101' ' ' ARG . 7.0 t -110.65 129.18 66.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.904 0.383 . . . . 1.0 110.99 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.0 t -130.13 115.33 17.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.005 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 153.2 41.45 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.974 2.449 . . . . 1.0 112.768 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.2 mt -119.07 110.6 17.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.112 178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.479 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 17.9 ptm -137.0 159.63 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 1.0 110.72 -176.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.577 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 54.8 t60 -141.14 123.32 15.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.487 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.4 t60 76.43 -114.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.448 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -117.36 -5.76 11.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.465 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -105.48 158.41 16.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.566 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.405 HD21 HD21 ' A' ' 165' ' ' LEU . 25.3 tp -106.1 128.97 54.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.425 177.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.3 m95 -100.26 -45.53 5.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.631 -177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.483 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -159.93 -177.84 33.38 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.164 -0.774 . . . . 1.0 111.164 -176.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 54' ' ' TYR . 30.6 mt -135.33 152.43 51.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 1.0 110.681 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.6 tp -119.04 151.38 38.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.228 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.2 p -160.44 138.27 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 1.0 111.075 -178.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.94 141.11 48.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.168 177.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.482 ' O ' ' CG2' ' A' ' 48' ' ' THR . 9.1 m80 -112.23 129.09 56.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.941 0.4 . . . . 1.0 111.043 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.509 ' CE1' HG23 ' A' ' 48' ' ' THR . 73.5 m80 -124.47 121.99 36.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.39 178.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.76 -19.66 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.601 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -133.85 150.47 74.65 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.496 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -41.27 137.12 2.33 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.857 2.371 . . . . 1.0 112.142 179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -153.78 75.91 6.12 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -55.63 152.35 34.58 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.844 2.362 . . . . 1.0 112.15 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -109.62 143.88 38.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.397 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.5 t -83.08 152.34 25.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.614 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -56.11 -34.98 66.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.465 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -78.13 -54.64 6.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.403 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -62.05 -35.24 78.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.384 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 43.3 tp -51.62 -50.94 59.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.297 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -66.52 -47.82 71.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.209 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 66.6 t -43.36 -45.34 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.048 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.15 -50.68 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.171 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -48.7 -35.69 14.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.903 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.7 -45.06 60.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.9 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 58.6 tp -50.7 -45.11 58.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.742 179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.6 90.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.801 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -59.5 -38.71 81.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.952 -0.567 . . . . 1.0 109.741 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -68.37 -30.55 69.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.827 -0.624 . . . . 1.0 109.828 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.6 -49.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.028 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 157' ' ' MET . 20.4 p -53.89 -32.2 52.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 1.0 109.977 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.2 mt -67.91 -35.22 71.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.176 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.15 85.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.229 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.0 mt -55.7 -52.98 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.185 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.577 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -63.15 -47.52 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.183 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.63 -47.16 87.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.281 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.06 -33.1 75.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.335 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -52.27 -41.86 63.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.433 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.4 mt -48.5 -37.24 17.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 32.8 t -51.79 -60.69 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.523 HD23 ' C ' ' A' ' 202' ' ' LEU . 2.2 tt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.003 -0.999 . . . . 1.0 110.522 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.714 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 35' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.799 0.333 . . . . 1.0 110.582 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -52.06 -32.29 33.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.564 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -73.4 -48.87 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.654 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.577 ' O ' HG23 ' A' ' 38' ' ' THR . 5.0 mm -56.22 -45.98 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.604 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.2 mt -56.34 -32.79 65.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.565 -178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.1 ttm180 -61.12 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.79 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.3 -26.06 59.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.793 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 34' ' ' ILE . 77.6 p -69.17 -36.21 77.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.682 -178.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.641 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -68.32 -26.75 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.714 -178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -78.3 -36.53 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.744 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' OE2' ' CE1' ' A' ' 45' ' ' PHE . 9.3 tm-20 -75.54 -54.02 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.683 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 43' ' ' ARG . 28.4 m -53.49 -49.5 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.733 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.64 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.2 ttt-85 -49.75 -44.81 48.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.63 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.09 -40.3 63.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.613 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.525 ' CE1' ' OE2' ' A' ' 41' ' ' GLU . 10.1 m-85 -67.3 -36.7 82.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.549 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mt -96.23 -11.87 25.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.499 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.64 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 46.16 28.67 3.17 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.528 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 1.2 p -77.74 144.72 36.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 1.0 110.622 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -51.35 -42.25 61.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.741 HH12 ' HZ1' ' A' ' 52' ' ' LYS . 63.2 ttt-85 -143.54 131.67 21.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.84 -175.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.504 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 11.4 t -140.84 131.51 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.944 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.741 ' HZ1' HH12 ' A' ' 50' ' ' ARG . 14.8 pttm -136.53 150.84 48.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 1.0 111.233 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.571 HG22 ' CD1' ' A' ' 166' ' ' LEU . 48.4 t -98.88 138.98 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.701 -0.681 . . . . 1.0 109.89 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 165' ' ' LEU . 12.2 t80 -122.54 123.8 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.764 -0.374 . . . . 1.0 111.251 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -103.01 141.02 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.923 -0.581 . . . . 1.0 109.989 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -103.24 137.96 40.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 1.0 110.901 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 61' ' ' HIS . 42.1 m-20 -95.87 151.74 38.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.516 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.13 -20.34 18.71 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.836 2.357 . . . . 1.0 112.079 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -92.6 -1.95 56.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.575 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.67 -14.99 58.86 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 57' ' ' ASP . 50.3 m80 -75.05 145.14 42.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 1.0 110.53 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.428 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.78 155.72 21.75 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 81' ' ' THR . 4.4 p -134.4 157.79 45.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 1.0 110.55 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.0 t -92.62 110.43 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.647 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.0 t -106.11 -2.43 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.406 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.79 127.15 7.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.531 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' HG3' HH21 ' A' ' 50' ' ' ARG . 14.0 tm-20 -158.51 139.11 12.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.44 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.88 45.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.623 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -120.54 141.14 50.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.4 134.02 11.53 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 43.77 39.36 4.77 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 40.07 22.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.825 0.345 . . . . 1.0 110.643 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 71' ' ' GLY . 75.9 ttt-85 -61.69 -46.3 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.599 -179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.98 148.26 35.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.613 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -70.25 157.49 59.25 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.755 2.303 . . . . 1.0 112.062 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.0 t -91.19 115.42 28.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.607 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.0 mt -96.32 9.92 39.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.425 178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.79 136.1 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.51 -8.94 75.45 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 63.3 mt -85.8 145.24 27.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 1.0 110.492 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.401 HG22 HG22 ' A' ' 63' ' ' THR . 73.2 p -110.55 146.31 36.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.415 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -115.32 142.66 29.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.471 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -71.06 140.29 37.5 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.725 2.284 . . . . 1.0 112.163 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.78 80.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.742 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 87' ' ' ILE . . . -49.16 -17.65 1.06 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -57.21 -7.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 1.0 110.486 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.42 ' H ' ' C ' ' A' ' 85' ' ' GLY . 16.0 pt -152.28 149.04 22.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.531 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -79.04 -94.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.874 2.383 . . . . 1.0 112.108 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -170.1 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.629 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -55.39 -43.12 74.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.22 -42.57 65.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.812 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -59.98 -33.51 72.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.675 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -63.16 -34.52 77.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.609 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -60.74 -33.56 73.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.513 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.811 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 26.0 m-85 -70.6 -34.41 72.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.731 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.695 HH12 ' H ' ' A' ' 162' ' ' LEU . 21.6 mtp85 -86.68 -20.26 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.706 ' N ' HE22 ' A' ' 99' ' ' GLN . 96.2 mt -101.77 -49.83 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.175 -176.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -104.08 -16.55 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.231 -173.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.868 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 43.39 54.8 5.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.864 -179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 17.5 t -153.08 123.02 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.419 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 10.1 tpp180 -157.35 124.6 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.452 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' ' 133' ' ' ARG . 47.1 t -147.09 146.72 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.61 178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 103' ' ' ILE . 4.0 mp -112.4 126.78 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.614 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.577 HG12 ' H ' ' A' ' 105' ' ' ASP . 1.9 t -84.66 172.8 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.466 -177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.577 ' H ' HG12 ' A' ' 104' ' ' VAL . 65.6 t0 -52.77 117.12 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.541 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 140' ' ' VAL . 20.0 t -49.67 -17.39 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.535 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.8 tp10 -73.23 -38.77 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.491 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.87 58.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.496 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 54.92 65.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.728 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.4 p -91.04 124.48 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.197 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -110.34 136.51 49.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.93 0.395 . . . . 1.0 110.995 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.453 ' O ' ' OD1' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -115.44 147.92 40.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.889 177.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 10.1 mt -148.67 156.35 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.918 0.389 . . . . 1.0 111.027 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.9 p -75.11 173.36 10.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.455 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -175.37 151.62 1.32 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.955 0.407 . . . . 1.0 110.622 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.28 74.43 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.79 2.327 . . . . 1.0 112.062 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.57 138.29 58.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.518 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 43.0 t -95.94 -31.81 12.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.553 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 20.1 p90 -145.93 -165.13 2.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 104.11 4.64 44.46 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.575 HD23 ' N ' ' A' ' 122' ' ' SER . 3.3 tt -95.1 112.59 24.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 1.0 110.543 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.575 ' N ' HD23 ' A' ' 121' ' ' LEU . 5.4 m -177.84 92.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.526 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.47 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -66.56 -46.03 77.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.588 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -40.81 -47.22 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.507 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 22.1 t -137.09 93.08 13.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.594 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -93.25 146.6 2.34 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.767 2.312 . . . . 1.0 112.117 175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 128' ' ' GLY . 3.5 tp -173.15 159.31 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.599 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.418 ' H ' ' HG ' ' A' ' 127' ' ' LEU . . . 93.93 37.23 5.52 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.44 101.29 50.4 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 1.0 110.61 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.87 152.09 3.33 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.88 2.387 . . . . 1.0 112.289 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 68.6 mt -56.29 -25.76 49.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.486 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.02 131.2 45.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.506 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' VAL . 19.7 mmm180 -115.44 135.96 22.68 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.77 141.43 17.14 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.918 2.412 . . . . 1.0 112.311 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.45 129.9 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.454 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 112' ' ' SER . 0.7 OUTLIER -41.76 151.11 0.33 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.762 -179.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -46.32 -19.16 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.922 2.415 . . . . 1.0 111.764 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.405 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -58.24 -40.89 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.591 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -85.09 -23.33 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.175 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.434 HG13 HG13 ' A' ' 106' ' ' VAL . 72.9 t -60.52 -57.99 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.172 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -66.26 -48.08 71.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -46.23 -42.75 14.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.307 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.99 -44.89 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.445 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -58.08 -45.84 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.569 178.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.0 m -63.43 -17.03 62.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.584 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 22.6 mmm -97.26 0.29 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.452 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.95 21.6 73.67 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.447 HG21 ' HD1' ' A' ' 169' ' ' HIS . 24.3 t -110.34 143.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 1.0 110.646 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -113.01 -43.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.232 -179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 p -136.65 120.95 17.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.09 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.4 p -128.97 140.31 51.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.992 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' A' ' 176' ' ' TYR . 5.0 tt -102.24 132.86 47.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.133 178.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.52 HG22 HG23 ' A' ' 167' ' ' VAL . 66.5 t -112.77 129.49 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 1.0 111.012 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.6 t -131.4 121.29 18.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.009 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.2 145.53 24.41 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.943 2.429 . . . . 1.0 112.723 -175.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 44.2 mt -110.96 107.99 17.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.183 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 13.3 ptm -136.99 161.46 36.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.822 0.344 . . . . 1.0 110.719 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.583 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 21.2 t-80 -134.17 123.34 24.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.587 177.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 75.4 t60 64.25 -105.76 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.46 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -117.49 -5.34 11.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.405 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -102.81 151.33 22.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.613 -176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.695 ' H ' HH12 ' A' ' 96' ' ' ARG . 23.1 tp -104.72 126.96 52.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.505 177.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -99.95 -43.54 6.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.671 -176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.43 -177.21 31.31 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.193 -0.763 . . . . 1.0 111.193 -176.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.9 OUTLIER -138.31 133.89 33.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.855 0.359 . . . . 1.0 110.688 -179.432 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.571 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.3 tp -100.76 151.97 21.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.167 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.52 HG23 HG22 ' A' ' 153' ' ' VAL . 12.6 p -158.33 134.8 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 1.0 111.05 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -117.52 134.7 54.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.156 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.447 ' HD1' HG21 ' A' ' 148' ' ' VAL . 47.0 m-70 -109.73 131.45 55.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.004 -177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.439 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.8 t-80 -128.98 133.89 47.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.304 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.439 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -70.22 -23.54 62.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.58 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.92 151.91 55.56 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.585 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.92 -66.82 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.811 2.34 . . . . 1.0 112.217 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.34 74.42 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.371 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -55.78 162.16 7.14 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.816 2.344 . . . . 1.0 112.219 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.461 ' CE1' HD12 ' A' ' 152' ' ' LEU . 95.1 m-85 -112.12 141.87 45.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.397 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.4 p -84.99 152.9 23.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.654 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -55.08 -35.83 64.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.403 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 183' ' ' VAL . 85.1 tt0 -74.87 -48.85 22.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.403 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -62.43 -36.33 82.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.379 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 181' ' ' LEU . 2.5 tt -51.37 -57.67 8.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.271 -179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -60.85 -47.82 84.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.241 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 179' ' ' GLU . 54.9 t -45.25 -49.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.068 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 61.5 t -75.18 -52.86 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.153 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -48.69 -37.23 18.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 1.0 109.917 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 24.5 tp -73.2 -43.58 61.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.954 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.414 HD21 HG12 ' A' ' 42' ' ' VAL . 59.9 tp -51.52 -45.31 62.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.065 -0.516 . . . . 1.0 109.83 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.94 97.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.762 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -59.67 -36.54 76.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.74 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.31 -29.71 66.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.766 178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 48.3 t -75.99 -49.39 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.117 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.53 -33.3 54.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.991 177.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 34.4 mt -67.56 -32.92 59.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.136 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.36 84.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.221 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 6.9 mt -61.82 -34.17 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.227 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.583 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -74.29 -54.74 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.327 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.475 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 8.6 pt20 -62.91 -39.47 94.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.252 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.475 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -67.48 -33.79 75.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.312 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -53.0 -43.49 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.442 -178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 33.1 mt -48.12 -27.85 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.415 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 94.9 p -54.62 -59.15 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.056 -0.973 . . . . 1.0 110.603 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.811 HBA2 ' CZ ' ' A' ' 95' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.491 HD22 HD11 ' A' ' 35' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.813 0.339 . . . . 1.0 110.512 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -53.38 -31.22 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -76.74 -46.59 24.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.684 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.689 ' O ' HG23 ' A' ' 38' ' ' THR . 26.0 mm -56.39 -50.13 73.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.579 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' O ' ' OG1' ' A' ' 38' ' ' THR . 89.3 mt -56.19 -35.95 67.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.602 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.591 ' O ' HG12 ' A' ' 39' ' ' VAL . 55.6 ttp180 -61.62 -42.46 98.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.816 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -27.21 59.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.763 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 34' ' ' ILE . 75.5 p -68.02 -37.52 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.642 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.686 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 2.3 p -71.44 -24.82 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.72 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' OE1' ' NH2' ' A' ' 43' ' ' ARG . 72.6 mm-40 -75.14 -45.91 37.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -71.03 -39.65 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 38' ' ' THR . 44.8 t -57.39 -54.62 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.747 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.737 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -48.6 -43.52 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.687 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.81 -48.9 78.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.654 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -60.95 -43.15 99.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.542 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mt -94.1 -11.61 30.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.515 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.737 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.12 25.83 4.24 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 62.0 m -75.0 141.72 43.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 1.0 110.595 -179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -50.95 -42.11 59.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.533 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.571 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 42.1 ttt85 -144.87 131.44 19.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.872 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 10.3 p -144.2 131.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 1.0 109.968 175.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.597 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 13.3 pttm -137.17 153.05 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 1.0 111.228 -176.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.552 HG22 ' CD1' ' A' ' 166' ' ' LEU . 48.0 t -100.66 139.23 22.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.926 176.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.458 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.7 t80 -126.75 127.83 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.41 . . . . 1.0 111.25 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 41.0 ptt180 -106.95 147.67 29.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.981 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -104.19 142.11 35.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.016 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 61' ' ' HIS . 1.3 m-20 -101.1 152.52 37.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.437 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -41.08 -45.85 5.23 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.806 2.337 . . . . 1.0 112.082 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -71.71 -12.69 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 107.59 -7.14 36.3 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.0 m80 -74.75 145.72 42.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 1.0 110.512 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -131.22 155.27 21.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -178.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 10.6 p -134.46 157.13 47.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 1.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 t -92.44 110.19 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.606 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.552 ' O ' HG12 ' A' ' 65' ' ' VAL . 46.0 t -106.84 -2.01 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.434 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.686 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.72 123.5 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.525 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -155.49 139.68 16.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.434 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB1' ' NH2' ' A' ' 43' ' ' ARG . . . -135.28 143.18 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.653 178.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 ptt-85 -130.56 144.78 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.638 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.67 141.13 15.34 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 44.13 36.15 3.88 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 40.98 21.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 1.0 110.601 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.2 tpm_? -59.9 -41.99 92.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.578 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.34 120.42 41.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.541 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.1 Cg_exo -49.68 161.69 0.79 Allowed 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.763 2.309 . . . . 1.0 111.978 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.447 ' HA ' HH22 ' A' ' 50' ' ' ARG . 29.5 t -88.36 119.63 28.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.709 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 23.6 mt -98.08 4.39 49.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.493 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.07 135.73 48.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.501 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.84 -8.89 78.43 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.823 -0.911 . . . . 1.0 110.823 176.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 80' ' ' LEU . 73.6 mt -85.41 144.6 27.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.767 0.318 . . . . 1.0 110.52 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.9 t -112.54 148.95 33.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.409 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.5 m-85 -117.26 149.37 44.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.428 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -78.24 147.54 23.34 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.718 2.278 . . . . 1.0 112.062 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.75 72.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.783 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.02 -19.38 1.46 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -66.84 -27.97 67.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 1.0 110.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 mt -131.67 91.41 33.91 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.524 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.444 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 65.3 Cg_exo -34.63 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.914 2.409 . . . . 1.0 112.065 -179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.8 tt0 -172.17 -39.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.535 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -52.78 -44.89 66.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.684 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.5 -37.54 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.842 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -63.41 -31.09 72.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.69 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.457 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 91.3 mtt-85 -65.18 -38.08 89.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.568 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.6 mt -57.35 -36.63 71.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.588 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CZ ' ' CB ' ' A' ' 101' ' ' ARG . 80.8 m-85 -69.98 -33.42 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.751 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.482 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 58.4 ttp180 -88.68 -24.48 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.868 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' C ' HE22 ' A' ' 99' ' ' GLN . 90.1 mt -97.07 -49.43 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 -176.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.474 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.16 -173.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.75 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 41.72 55.41 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.789 -179.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 100' ' ' VAL . 10.7 p -162.25 124.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.437 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.561 ' CG ' HH11 ' A' ' 101' ' ' ARG . 0.0 OUTLIER -170.36 131.23 0.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.495 178.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 75.4 t -144.51 153.12 15.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.708 HD11 ' O2A' ' A' ' 301' ' ' CYC . 70.7 mt -110.6 128.97 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.618 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 105' ' ' ASP . 17.3 t -85.71 173.05 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.427 -177.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.678 ' H ' HG12 ' A' ' 104' ' ' VAL . 35.5 m-20 -50.22 117.63 2.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.58 -179.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 106' ' ' VAL . 26.7 t -50.58 -11.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.586 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 109' ' ' GLN . 48.5 tp10 -70.65 -38.57 73.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.41 178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.37 0.95 0.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.497 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 13.6 pt20 37.44 71.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.762 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.6 p -92.59 123.63 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.235 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -112.52 139.84 47.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.977 0.417 . . . . 1.0 111.001 -176.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.572 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.9 p -118.34 156.32 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.87 178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 112' ' ' SER . 27.9 pt -154.79 160.67 2.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.008 0.432 . . . . 1.0 110.989 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.6 m -76.27 171.95 13.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.41 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -138.82 74.87 37.46 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -49.22 -23.83 7.32 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.843 2.362 . . . . 1.0 111.988 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 117' ' ' GLU . 3.2 tm-20 -99.95 74.44 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.5 p -153.95 161.53 41.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.564 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 120' ' ' GLY . 75.9 t-105 -136.62 122.69 20.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.586 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 119' ' ' TRP . . . 41.38 94.18 0.01 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 122' ' ' SER . 50.6 mt -58.76 -36.32 74.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.32 . . . . 1.0 110.52 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 121' ' ' LEU . 10.8 p 43.6 94.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.477 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 97' ' ' LEU . . . -77.82 1.49 20.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -48.22 -19.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.593 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.2 p -87.63 130.21 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.611 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 128' ' ' GLY . 71.8 Cg_endo -75.41 139.58 23.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.773 2.315 . . . . 1.0 112.092 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.502 ' C ' ' H ' ' A' ' 129' ' ' GLU . 38.5 mt 57.65 -79.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.599 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 60.08 -0.53 0.82 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.543 ' OE1' ' NH2' ' A' ' 133' ' ' ARG . 58.5 mm-40 -145.02 159.31 50.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 1.0 110.572 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.619 ' C ' ' H ' ' A' ' 132' ' ' GLN . 7.4 Cg_endo -47.04 168.98 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.939 2.426 . . . . 1.0 112.224 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.55 14.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.619 ' H ' ' C ' ' A' ' 130' ' ' PRO . 44.5 mm-40 -140.32 158.92 43.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.552 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.543 ' NH2' ' OE1' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -134.04 117.69 13.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.604 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.79 139.91 16.0 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.965 2.443 . . . . 1.0 112.257 -178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 135' ' ' VAL . 15.7 m -117.38 132.41 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.409 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.619 ' HB3' HMD2 ' A' ' 301' ' ' CYC . 5.7 t0 -41.87 144.84 0.78 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.764 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.441 ' N ' ' OD1' ' A' ' 136' ' ' ASP . 8.4 Cg_endo -49.97 -11.88 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.943 2.429 . . . . 1.0 111.817 -179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.964 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.8 OUTLIER -70.45 -40.26 73.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -84.1 -30.92 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.195 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -56.47 -63.19 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.198 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -58.22 -41.34 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.385 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -48.63 -44.11 36.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.249 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.479 HD11 HD13 ' A' ' 103' ' ' ILE . 11.4 mt -72.33 -47.08 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.539 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -55.98 -44.12 78.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.584 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.8 p -64.78 -17.68 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 19.8 mmm -95.77 -1.87 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.489 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.62 23.37 64.9 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 34.4 t -112.93 143.37 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 1.0 110.703 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -117.71 -45.49 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.194 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.2 p -131.67 118.25 19.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.054 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 31.5 t -129.47 141.13 51.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.9 0.381 . . . . 1.0 111.011 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -99.51 134.35 42.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.086 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.6 t -113.2 126.36 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 1.0 111.017 -178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.82 118.25 16.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.012 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.74 155.9 31.21 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.994 2.462 . . . . 1.0 112.767 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 17.9 mt -120.29 111.81 18.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.103 177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.533 ' N ' ' OG ' ' A' ' 192' ' ' SER . 15.4 ptm -133.46 157.58 45.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.879 0.371 . . . . 1.0 110.648 -175.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.62 ' NE2' ' CE1' ' A' ' 159' ' ' HIS . 57.8 t60 -135.43 123.82 23.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.558 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.62 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 27.7 m-70 70.67 -110.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.505 -177.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -118.15 -4.76 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.458 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.427 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 12.6 pt-20 -106.61 161.7 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.662 -176.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.42 129.14 55.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.464 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.427 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 46.3 m95 -102.09 -44.09 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.659 -177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.455 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -157.72 -176.94 30.35 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.22 -0.752 . . . . 1.0 111.22 -176.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.5 tt -142.05 140.25 32.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.379 . . . . 1.0 110.678 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.0 tp -104.81 153.49 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.152 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.4 p -158.45 135.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 1.0 111.015 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.33 133.63 55.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.127 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.518 ' O ' ' CG2' ' A' ' 48' ' ' THR . 32.0 m-70 -108.56 129.08 55.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 1.0 111.077 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -124.45 126.78 46.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.374 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -84.26 32.7 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.613 -178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 25.1 mt-10 -160.7 142.93 9.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.53 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 174' ' ' ARG . 88.3 Cg_exo -41.57 -78.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.778 2.319 . . . . 1.0 112.215 178.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 173' ' ' PRO . 0.0 OUTLIER 35.34 89.01 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.324 179.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.41 172.72 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.81 2.34 . . . . 1.0 112.264 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -109.77 142.62 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.395 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 62.9 m -87.99 151.52 22.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -66.9 -25.91 66.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.444 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -82.0 -52.83 6.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.421 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.534 ' O ' HG23 ' A' ' 184' ' ' VAL . 95.8 mt-10 -65.89 -19.01 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.421 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 51.0 tp -74.78 -45.79 41.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.345 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -71.16 -56.48 6.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.173 -178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.5 p -46.66 -39.19 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.1 -179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 180' ' ' GLU . 73.7 t -73.18 -52.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.11 178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -46.17 -31.2 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 1.0 109.958 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.2 tp -72.68 -43.76 62.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.921 -0.581 . . . . 1.0 109.94 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 61.6 tp -51.3 -45.66 62.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.866 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.77 92.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.818 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -58.06 -37.17 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.777 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.0 -30.27 67.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.856 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.5 t -75.57 -50.03 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.995 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.533 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.2 t -50.85 -27.21 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.952 178.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 46.6 mt -76.41 -32.89 22.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.115 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.08 86.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.233 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.501 HG13 ' N ' ' A' ' 196' ' ' ALA . 12.8 pt -63.8 -30.5 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.259 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.501 ' N ' HG13 ' A' ' 195' ' ' ILE . . . -73.41 -49.62 26.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.289 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.11 -41.64 97.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.18 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.421 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.04 -33.03 74.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.327 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -53.32 -43.23 67.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.466 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 50.0 mt -48.31 -29.7 4.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.407 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 92.3 p -52.5 -59.07 4.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.4 tp . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.072 -0.966 . . . . 1.0 110.61 179.775 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.964 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.885 0.374 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -54.57 -31.84 57.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.571 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -76.89 -49.47 15.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.684 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' THR . 96.5 mt -57.73 -52.02 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.577 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.559 ' O ' ' OG1' ' A' ' 38' ' ' THR . 64.6 mt -56.54 -31.88 64.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.587 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.527 ' O ' HG12 ' A' ' 39' ' ' VAL . 24.2 ttm180 -64.03 -40.46 96.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.794 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.79 -27.18 57.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.559 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 57.2 p -65.66 -38.62 89.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.755 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.688 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -70.91 -25.09 25.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.74 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.09 -36.87 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.673 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -79.08 -40.4 31.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.683 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 38' ' ' THR . 53.6 t -55.38 -56.89 9.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.717 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.769 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -52.09 -44.03 64.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -57.9 -49.03 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.594 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -63.09 -42.85 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.525 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.1 mt -94.02 -13.18 27.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.521 -177.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.769 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.67 25.77 15.3 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.548 HG23 ' CD2' ' A' ' 170' ' ' HIS . 37.5 m -74.67 139.74 43.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.333 . . . . 1.0 110.611 -179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.503 ' CG ' HH21 ' A' ' 73' ' ' ARG . 88.8 m-20 -51.41 -43.83 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.431 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 32.2 ttt180 -143.75 131.47 21.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.938 -176.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -149.78 134.33 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.904 -0.589 . . . . 1.0 109.965 176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -138.77 156.81 47.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 1.0 111.175 -177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.5 t -99.02 139.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.814 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.51 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.1 t80 -119.62 120.5 36.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 1.0 111.169 -177.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.2 ttt85 -100.82 141.58 33.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.824 -0.625 . . . . 1.0 109.986 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.41 128.9 46.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 1.0 110.99 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' GLY . 1.3 m-20 -94.59 155.79 39.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -38.24 -53.2 1.73 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.825 2.35 . . . . 1.0 112.139 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 56.9 tt0 -69.99 -12.7 61.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.593 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 102.21 -4.72 52.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.596 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 56.0 p-80 -81.96 101.53 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.527 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -88.05 168.0 36.78 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.946 -0.861 . . . . 1.0 110.946 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.1 p -139.58 161.95 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 1.0 110.601 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.446 HG12 HD12 ' A' ' 78' ' ' LEU . 4.0 t -90.1 108.28 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.4 t -106.27 -3.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.429 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.688 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.68 126.11 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.489 -179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.563 ' CD ' HH21 ' A' ' 50' ' ' ARG . 37.2 tt0 -157.88 140.28 14.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.1 137.82 44.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.693 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -124.1 143.34 50.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.64 -178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.88 141.86 15.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.12 34.92 0.64 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 41.96 19.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.609 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 25.1 ttp180 -55.94 -43.5 77.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.539 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.0 mt -108.45 126.79 28.76 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.62 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.535 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 78.3 Cg_exo -49.83 160.27 1.29 Allowed 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.826 2.35 . . . . 1.0 112.027 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.9 t -92.18 117.03 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.65 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.661 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 20.8 mt -99.68 9.96 42.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.471 178.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.446 HD12 HG12 ' A' ' 64' ' ' VAL . 6.5 tp -63.86 141.1 58.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.499 -177.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.07 -6.14 83.86 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.46 147.52 25.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 1.0 110.572 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 p -104.59 133.12 49.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.488 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.34 109.0 61.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.08 146.28 4.54 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.72 2.28 . . . . 1.0 112.138 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.15 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -19.17 1.85 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -69.36 -24.42 63.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 1.0 110.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.581 ' O ' ' O ' ' A' ' 88' ' ' PRO . 40.3 mt -119.88 94.99 49.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.521 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.581 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.7 Cg_exo -39.71 -111.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.937 2.425 . . . . 1.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 81.7 tt0 -158.89 -53.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.572 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -47.86 -44.71 29.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.624 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB1' ' O2A' ' A' ' 301' ' ' CYC . . . -69.32 -30.52 68.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.782 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -69.77 -32.75 71.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.701 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 97' ' ' LEU . 75.6 mtp180 -63.38 -39.07 93.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.8 -34.75 74.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.579 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.539 ' CD2' HD23 ' A' ' 165' ' ' LEU . 7.6 m-85 -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.706 178.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -95.08 -21.05 18.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.811 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.584 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 58.2 mt -92.34 -49.58 6.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.226 -175.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -115.84 -13.79 11.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.177 -175.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 5.5 mp0 44.71 58.05 4.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.813 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 99' ' ' GLN . 4.4 m -155.52 120.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.347 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -163.41 129.29 3.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.479 178.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.43 ' H ' ' HB2' ' A' ' 133' ' ' ARG . 2.4 p -148.49 151.07 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.701 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.71 127.23 66.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.598 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 105' ' ' ASP . 5.9 t -84.91 172.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.444 -178.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.678 ' H ' HG12 ' A' ' 104' ' ' VAL . 44.7 m-20 -51.06 114.26 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.584 -178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.446 ' O ' HG12 ' A' ' 106' ' ' VAL . 37.3 t -48.53 -13.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.655 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 105' ' ' ASP . 45.0 tp10 -77.1 -36.33 55.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.488 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.8 61.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.535 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 55.49 65.86 1.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.704 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.1 m -94.96 124.44 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.199 175.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -111.64 140.21 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.998 0.427 . . . . 1.0 110.973 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -124.03 156.88 35.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.83 -0.623 . . . . 1.0 109.916 177.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.625 HG22 ' N ' ' A' ' 114' ' ' SER . 27.0 mt -156.98 164.13 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.002 -178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.625 ' N ' HG22 ' A' ' 113' ' ' ILE . 59.6 p -75.8 174.21 10.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.374 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -165.4 68.41 1.24 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.615 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.49 -31.26 38.51 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.848 2.365 . . . . 1.0 112.08 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.01 -35.2 72.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.8 t -113.66 132.28 55.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 61.9 t90 -162.48 140.51 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.498 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 154.81 48.78 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 37.8 mt -86.91 139.26 30.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.807 0.336 . . . . 1.0 110.585 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.2 t -137.99 137.51 37.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.539 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.89 -24.53 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.537 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -58.64 -24.91 62.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.611 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -97.18 109.42 49.47 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.57 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -48.8 158.83 1.06 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.735 2.29 . . . . 1.0 112.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.422 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 67.9 mt 48.16 -103.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.45 -21.63 41.73 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -133.16 159.56 72.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 1.0 110.604 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.557 ' C ' ' H ' ' A' ' 132' ' ' GLN . 15.7 Cg_endo -55.58 162.34 6.52 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.982 2.455 . . . . 1.0 112.236 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 -3.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.557 ' H ' ' C ' ' A' ' 130' ' ' PRO . 32.2 mm-40 -134.67 166.01 23.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.454 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.602 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -135.99 84.72 30.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.585 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.46 141.87 13.88 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.909 2.406 . . . . 1.0 112.265 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.414 ' O ' HG23 ' A' ' 135' ' ' VAL . 22.2 m -121.9 130.28 74.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.368 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.485 ' CG ' ' O ' ' A' ' 112' ' ' SER . 0.4 OUTLIER -40.92 157.86 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.707 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.408 ' CD ' ' OD1' ' A' ' 136' ' ' ASP . 31.4 Cg_exo -56.09 -30.08 77.35 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.949 2.432 . . . . 1.0 111.778 -178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.755 ' SG ' ' ND1' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -62.03 -29.7 70.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.659 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.914 ' ND1' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -86.96 -28.85 22.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.128 176.388 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.444 ' CG1' HG13 ' A' ' 106' ' ' VAL . 97.9 t -59.43 -50.24 80.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.181 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -64.22 -46.19 84.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.408 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -46.58 -43.5 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.335 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.31 -44.69 44.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.485 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.0 tttp -56.86 -45.54 82.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.641 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.7 p -62.8 -15.65 54.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.542 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 45.4 mmm -97.75 0.97 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.505 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.91 22.74 71.01 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.61 140.9 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 1.0 110.615 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.98 -32.47 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.196 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.1 t -152.98 118.53 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.014 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -127.09 141.22 51.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.948 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.5 tp -104.09 131.96 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.115 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 2.3 t -113.87 127.73 71.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.962 0.411 . . . . 1.0 111.038 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.05 96.61 36.79 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.108 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.446 ' HG3' ' CD2' ' A' ' 95' ' ' PHE . 51.7 Cg_exo -50.64 148.32 15.93 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.882 2.388 . . . . 1.0 112.798 -175.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.2 mt -116.21 111.77 20.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.13 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.438 ' O ' ' OG ' ' A' ' 192' ' ' SER . 9.6 ptm -138.39 162.87 33.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 1.0 110.681 -175.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.57 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 64.4 t60 -143.6 122.2 12.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.479 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 51.5 t-80 76.18 -113.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -177.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.43 ' N ' ' ND1' ' A' ' 159' ' ' HIS . 5.4 pp0? -118.4 -6.82 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.5 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -104.44 158.99 16.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.697 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -106.64 129.49 54.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.451 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -100.3 -44.74 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.588 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.698 ' C ' HD12 ' A' ' 165' ' ' LEU . . . -158.05 -177.48 31.2 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.247 -0.741 . . . . 1.0 111.247 -176.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.738 HD12 ' N ' ' A' ' 165' ' ' LEU . 3.5 mp -137.08 136.67 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 1.0 110.681 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 4.8 tp -100.32 149.52 23.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.148 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.3 p -158.76 135.82 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.397 . . . . 1.0 111.033 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.412 ' HG ' ' CB ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -118.28 138.16 52.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.16 178.079 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.502 ' O ' ' CG2' ' A' ' 48' ' ' THR . 12.7 m80 -109.46 127.87 54.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.062 -177.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.548 ' CD2' HG23 ' A' ' 48' ' ' THR . 76.8 m-70 -123.96 124.88 43.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.334 178.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.63 64.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 0.1 OUTLIER -127.43 158.0 71.04 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.595 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.76 140.82 96.67 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.875 2.383 . . . . 1.0 112.183 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 36.1 ttp180 -160.07 84.29 2.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.319 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -54.52 157.13 12.64 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.803 2.335 . . . . 1.0 112.263 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -109.64 145.13 36.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.452 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 52.5 m -103.87 156.85 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.657 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.58 -44.99 69.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.384 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.34 -43.92 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.402 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 184' ' ' VAL . 79.8 mm-40 -74.23 -8.07 54.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 185' ' ' GLN . 32.7 tp -83.03 -42.83 17.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.267 -179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.402 ' O ' ' CB ' ' A' ' 186' ' ' LEU . 92.9 mm-40 -65.09 -50.65 65.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.206 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.706 HG23 ' N ' ' A' ' 184' ' ' VAL . 21.5 m -47.15 -53.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.146 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.706 ' N ' HG23 ' A' ' 183' ' ' VAL . 7.6 p -76.37 -53.9 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.126 -178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.681 ' N ' HG13 ' A' ' 184' ' ' VAL . 63.4 tt0 -50.06 -38.89 40.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.92 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 182' ' ' GLN . 46.6 tp -74.81 -44.49 49.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.011 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 191' ' ' VAL . 59.1 tp -52.45 -46.95 66.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.845 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.97 88.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.974 -0.557 . . . . 1.0 109.752 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -59.86 -37.06 78.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.721 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -70.72 -30.73 67.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 187' ' ' LEU . 38.2 t -75.14 -51.45 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.029 179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 157' ' ' MET . 42.6 p -53.63 -31.38 47.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.022 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -69.69 -34.19 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.076 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.05 -38.14 85.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.275 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 7.5 mt -55.41 -53.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.269 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.57 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -61.97 -46.84 87.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.283 -179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -60.86 -47.01 88.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.308 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.88 -32.62 74.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.338 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -52.78 -41.51 64.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.452 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.2 tp -48.56 -35.82 14.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.404 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.0 m -50.91 -59.66 3.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.882 -1.056 . . . . 1.0 110.507 179.572 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.801 HMD2 ' CE1' ' A' ' 139' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -53.53 -32.3 49.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.698 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -76.56 -48.64 18.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.653 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 38' ' ' THR . 4.8 mm -57.12 -52.27 58.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.597 179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' OG1' ' A' ' 38' ' ' THR . 59.2 mt -56.56 -32.89 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.624 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' VAL . 75.5 ttt180 -62.83 -42.91 99.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.786 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.82 -25.84 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.796 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.7 p -68.77 -37.17 79.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.689 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.667 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -69.1 -26.89 33.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.699 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -78.25 -33.66 49.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.772 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -78.89 -53.68 6.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.682 -178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.687 HG23 ' N ' ' A' ' 43' ' ' ARG . 34.4 m -52.81 -53.35 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.721 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.687 ' N ' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -49.47 -42.72 44.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.687 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' H ' ' HG3' ' A' ' 43' ' ' ARG . . . -52.92 -41.96 64.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -67.41 -35.14 78.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.558 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.9 mt -95.92 -11.99 25.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.463 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.685 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.6 28.67 10.84 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.022 -0.831 . . . . 1.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.433 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 0.9 OUTLIER -77.3 142.32 39.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.822 0.344 . . . . 1.0 110.618 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.582 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 2.7 p30 -54.05 -39.05 65.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.502 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.582 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 15.7 ttt85 -144.12 132.44 21.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.904 -176.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 6.5 t -141.61 131.73 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.888 -0.596 . . . . 1.0 109.873 175.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.542 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 32.1 pttt -136.85 151.29 48.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.025 0.441 . . . . 1.0 111.213 -177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 66' ' ' ALA . 60.0 t -96.77 137.73 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.826 177.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 52.8 t80 -117.27 113.92 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.003 0.43 . . . . 1.0 111.144 -177.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -92.86 131.68 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.939 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.566 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 75.1 t80 -98.44 127.69 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.961 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 0.8 OUTLIER -94.8 160.84 30.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.484 178.696 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.74 -22.35 57.26 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.868 2.379 . . . . 1.0 112.064 -176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -90.04 -6.84 55.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.578 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 103.91 -15.42 51.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.469 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 71.6 m80 -74.48 141.73 44.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.869 0.366 . . . . 1.0 110.589 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -126.97 148.08 17.17 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.886 -0.886 . . . . 1.0 110.886 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.1 p -129.32 152.01 49.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.819 0.342 . . . . 1.0 110.515 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.8 t -90.45 109.87 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.685 178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 t -103.85 -3.7 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.391 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.667 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.83 126.41 6.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.534 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.561 ' CD ' HH21 ' A' ' 50' ' ' ARG . 49.0 tt0 -158.51 139.33 12.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.433 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.89 138.57 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.689 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HB3' HH12 ' A' ' 50' ' ' ARG . 35.0 ptt180 -117.81 140.83 49.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.589 -177.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.2 136.16 12.53 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.96 36.74 1.95 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 42.13 19.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 1.0 110.61 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.8 tpt180 -55.66 -45.15 77.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -108.08 146.74 34.13 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.607 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.571 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 40.2 Cg_endo -67.74 158.86 55.31 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.763 2.308 . . . . 1.0 112.053 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.463 ' HA ' HH22 ' A' ' 50' ' ' ARG . 69.5 m -85.05 118.71 24.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.735 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -99.36 3.15 45.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.45 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 18.4 tp -56.42 137.16 53.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.508 -178.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -8.7 76.85 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.7 mt -84.72 145.74 27.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.813 0.34 . . . . 1.0 110.549 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -107.56 138.49 43.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.413 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -105.58 141.65 23.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 1.0 110.445 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -73.74 142.11 31.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.698 2.265 . . . . 1.0 112.179 179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -69.72 -35.43 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.16 -17.41 0.34 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 84' ' ' ALA . 94.4 m-20 -64.38 -21.36 66.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.836 0.351 . . . . 1.0 110.429 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 87' ' ' ILE . 5.0 mt -145.47 99.48 4.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.548 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.43 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.9 Cg_exo -37.88 -82.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.846 2.364 . . . . 1.0 112.131 -178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.43 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.4 tt0 -174.9 -33.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.57 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -56.33 -44.98 80.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.701 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.48 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.83 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.6 ttt-85 -70.38 -31.55 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.696 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -65.54 -42.6 91.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.601 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.619 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 10.3 mt -58.67 -34.31 71.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.584 -178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.662 ' CE1' HBA1 ' A' ' 301' ' ' CYC . 6.6 m-85 -72.59 -24.74 61.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.692 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.521 ' C ' HE22 ' A' ' 99' ' ' GLN . 55.7 ttp180 -86.61 -27.66 23.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.762 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.32 -40.17 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.208 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 94' ' ' LEU . . . -95.62 -26.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.199 -175.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.769 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 39.3 51.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.809 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 99' ' ' GLN . 35.8 t -162.12 127.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -178.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.651 ' O ' HG22 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -173.44 130.08 0.45 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.493 177.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.529 ' N ' HH11 ' A' ' 101' ' ' ARG . 4.5 m -144.7 154.7 14.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.612 177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.9 129.89 61.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.56 -178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.697 HG12 ' H ' ' A' ' 105' ' ' ASP . 11.9 t -85.12 173.32 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.419 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.697 ' H ' HG12 ' A' ' 104' ' ' VAL . 25.9 m-20 -49.21 117.72 2.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.517 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.7 p -50.68 -16.22 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.556 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 105' ' ' ASP . 85.4 tt0 -74.08 -37.19 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.432 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.7 -15.54 30.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.503 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 53.4 69.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.701 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -92.14 122.22 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.185 175.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -110.53 138.87 46.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 1.0 111.029 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.42 ' C ' HG23 ' A' ' 113' ' ' ILE . 0.4 OUTLIER -121.32 154.04 36.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.906 177.75 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.42 HG23 ' C ' ' A' ' 112' ' ' SER . 27.5 pt -154.89 161.24 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.899 0.381 . . . . 1.0 111.063 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 p -76.9 169.75 17.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.4 178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.517 ' NE2' ' O ' ' A' ' 117' ' ' GLU . 3.4 pt20 -164.41 153.14 11.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.691 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.3 -44.23 5.09 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.826 2.35 . . . . 1.0 112.082 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.517 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 15.0 tm-20 -103.54 128.94 50.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.5 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.4 m -151.96 160.75 43.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -99.35 163.31 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.531 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.95 12.19 40.8 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 51.0 mt -56.62 -33.48 66.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 1.0 110.531 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.6 m -97.38 150.96 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.609 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 124' ' ' ARG . . . -58.83 -52.45 65.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.601 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 123' ' ' ALA . 53.7 mtm-85 39.12 -149.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.483 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.0 m -140.3 153.52 68.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.62 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.23 125.5 8.84 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.783 2.322 . . . . 1.0 112.137 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 174.54 129.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.532 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 83.45 38.29 11.06 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -106.79 110.51 63.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 1.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.46 152.13 1.58 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.869 2.379 . . . . 1.0 112.229 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.0 mt -62.56 -28.94 70.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.479 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.48 130.7 44.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.559 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -123.73 107.75 31.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.621 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.89 144.89 7.6 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.929 2.419 . . . . 1.0 112.327 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 15.8 m -123.45 135.18 64.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.465 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.483 ' HB2' HMD2 ' A' ' 301' ' ' CYC . 1.4 m-20 -40.49 141.52 0.87 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.69 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -44.71 -29.4 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.949 2.433 . . . . 1.0 111.764 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.925 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.6 OUTLIER -57.77 -40.32 79.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.574 -179.552 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 27.5 t60 -82.81 -31.65 28.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.192 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.08 -60.46 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.176 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.79 -43.1 98.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.32 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -46.24 -40.87 12.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.308 178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 30.2 mt -74.97 -42.34 57.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.444 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -57.31 -45.07 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.504 176.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.3 p -63.73 -16.13 60.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 25.4 mmm -96.93 -1.43 45.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.494 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.58 21.74 71.54 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 23.9 t -108.94 141.77 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 1.0 110.691 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.71 -46.3 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.224 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 42.0 t -133.57 120.9 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.094 -179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 63.1 p -129.07 138.62 51.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 1.0 110.954 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.83 130.48 56.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.052 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 101' ' ' ARG . 0.8 OUTLIER -118.08 141.57 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.925 0.393 . . . . 1.0 111.039 -177.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.4 t -129.55 98.27 23.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.024 178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -49.69 151.69 7.5 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.933 2.422 . . . . 1.0 112.816 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -115.8 110.38 18.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.169 177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.536 ' N ' ' OG ' ' A' ' 192' ' ' SER . 9.5 ptm -137.89 155.32 49.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 1.0 110.717 -176.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.641 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 2.4 t-80 -137.25 124.61 21.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.526 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.641 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 45.7 m-70 77.14 -118.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -115.76 -0.08 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.475 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.44 161.68 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.628 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.5 tp -107.84 128.88 55.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.457 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -99.81 -43.27 6.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.736 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -158.11 -176.24 29.94 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.195 -0.762 . . . . 1.0 111.195 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.754 HD23 ' N ' ' A' ' 166' ' ' LEU . 1.9 tt -139.63 130.23 25.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.871 0.367 . . . . 1.0 110.709 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.754 ' N ' HD23 ' A' ' 165' ' ' LEU . 5.0 tp -95.19 144.48 25.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.164 178.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 153' ' ' VAL . 8.6 p -147.74 130.06 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 1.0 111.016 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.25 130.94 56.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.207 177.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -111.67 134.22 53.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.12 -177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -129.46 130.21 45.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.37 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.69 63.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.684 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.42 ' CD ' ' N ' ' A' ' 172' ' ' GLU . 9.9 mp0 -92.49 151.53 41.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.468 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.25 13.59 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.746 2.297 . . . . 1.0 112.216 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 56.2 ttt85 -48.87 126.56 13.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.353 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.26 170.9 16.91 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.843 2.362 . . . . 1.0 112.158 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -96.8 137.44 35.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.443 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 35.8 t -87.61 153.12 21.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.683 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -61.32 -31.44 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.411 ' O ' HG23 ' A' ' 183' ' ' VAL . 96.5 mt-10 -70.7 -49.31 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.422 -179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 184' ' ' VAL . 96.7 mt-10 -72.17 -12.97 61.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.404 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.582 ' C ' HD23 ' A' ' 181' ' ' LEU . 3.4 tt -66.38 -66.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.286 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 11.7 pt20 -71.05 -50.46 33.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.203 -178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.493 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 60.9 t -42.42 -46.49 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.064 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 180' ' ' GLU . 92.7 t -74.24 -46.15 45.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.183 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -45.79 -31.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.979 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.4 tp -72.77 -43.95 62.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.913 178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 191' ' ' VAL . 80.3 mt -56.09 -48.92 75.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.831 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.73 -48.86 79.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.786 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -59.39 -34.84 72.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.013 -0.539 . . . . 1.0 109.726 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -71.79 -30.03 65.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.855 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 187' ' ' LEU . 31.3 t -75.58 -50.2 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.011 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.536 ' OG ' ' N ' ' A' ' 157' ' ' MET . 6.3 t -53.96 -33.26 56.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.033 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 33.3 mt -68.06 -31.41 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.112 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.8 -38.94 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.216 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.1 mt -55.32 -53.93 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.245 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.604 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -64.79 -48.06 75.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.215 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -60.83 -46.6 89.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.308 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.49 -33.31 75.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.28 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -52.36 -41.73 63.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.458 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 tp -47.9 -34.33 8.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.419 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 94.6 p -50.0 -59.79 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.463 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.581 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.925 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.34 . . . . 1.0 110.53 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -49.34 -35.2 17.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -75.25 -51.33 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.697 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.518 ' O ' HG23 ' A' ' 38' ' ' THR . 96.4 mt -57.34 -46.45 85.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.612 179.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.557 ' O ' ' OG1' ' A' ' 38' ' ' THR . 30.1 mt -56.91 -31.41 64.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.618 -178.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.544 ' O ' HG12 ' A' ' 39' ' ' VAL . 33.6 ttp180 -63.83 -41.21 97.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.773 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' O ' ' OE1' ' A' ' 41' ' ' GLU . . . -74.58 -27.07 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.729 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 42' ' ' VAL . 65.2 p -66.69 -36.48 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.612 -178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.589 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -71.12 -24.45 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.736 -178.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.57 -46.38 59.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.773 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' A' ' 41' ' ' GLU . 7.8 mp0 -70.54 -38.27 74.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 38' ' ' THR . 56.0 t -55.71 -54.26 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.75 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.768 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.6 ttm180 -50.19 -44.47 52.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.717 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.1 -48.61 78.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.615 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -62.78 -42.2 99.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -177.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.482 ' HB3' HG23 ' A' ' 48' ' ' THR . 6.2 mt -94.47 -13.04 26.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.522 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.768 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 48.84 26.3 5.59 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.482 HG23 ' HB3' ' A' ' 46' ' ' LEU . 4.6 p -75.98 142.73 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 1.0 110.633 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -49.07 -43.72 41.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.502 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.742 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 69.4 ttt180 -146.25 137.0 24.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.929 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -148.6 133.42 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.847 -0.615 . . . . 1.0 109.91 175.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.77 ' NZ ' HBB2 ' A' ' 301' ' ' CYC . 20.8 pttt -138.06 154.44 49.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.074 0.464 . . . . 1.0 111.178 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.578 HG22 ' CD1' ' A' ' 166' ' ' LEU . 53.3 t -99.99 139.56 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.656 . . . . 1.0 109.841 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 6.6 t80 -125.43 125.65 43.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 1.0 111.211 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt85 -99.72 137.69 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.907 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -99.77 131.67 45.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.368 . . . . 1.0 110.932 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.561 ' CG ' ' NE2' ' A' ' 61' ' ' HIS . 1.3 m-20 -98.04 152.08 37.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.47 179.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -56.84 -21.76 42.08 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.844 2.363 . . . . 1.0 112.065 -176.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' HB3' ' ND1' ' A' ' 61' ' ' HIS . 57.5 tt0 -86.28 -8.36 57.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.596 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.34 -16.48 45.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.561 ' NE2' ' CG ' ' A' ' 57' ' ' ASP . 28.3 p-80 -82.18 152.73 26.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 1.0 110.56 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -137.16 160.86 25.12 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 81' ' ' THR . 5.6 p -134.94 157.95 45.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 1.0 110.586 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.9 t -94.67 110.68 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.645 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.51 -2.24 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.422 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.589 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.61 126.33 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.605 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.447 ' HG3' HH21 ' A' ' 50' ' ' ARG . 13.5 tm-20 -158.37 140.39 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.433 -178.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HB1' HH21 ' A' ' 43' ' ' ARG . . . -134.05 136.95 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.65 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -116.67 140.65 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.632 -178.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.68 119.33 6.47 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 54.57 40.08 68.75 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 40.97 22.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.58 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 71' ' ' GLY . 24.1 ttm180 -60.88 -49.46 77.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.536 -179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.79 150.91 37.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.554 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 55.8 Cg_endo -71.41 147.49 52.63 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.77 2.314 . . . . 1.0 111.991 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.4 m -83.58 111.1 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.704 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.742 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 17.6 mt -96.12 8.08 44.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.532 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.9 tp -56.43 135.53 54.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.495 -178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.42 -6.17 83.88 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 176.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.5 mt -88.21 144.24 26.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 1.0 110.545 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.446 HG22 HG22 ' A' ' 63' ' ' THR . 72.5 p -109.72 148.27 31.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.455 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 26.4 m-85 -115.63 146.4 36.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.484 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -71.03 147.52 54.92 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.69 2.26 . . . . 1.0 112.119 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.91 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.72 -16.56 1.72 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 62.5 t0 -73.2 -21.62 60.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 2.0 mt -118.23 101.31 51.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.58 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.3 Cg_exo -45.74 -117.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.881 2.387 . . . . 1.0 112.138 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.488 ' OE2' ' NH2' ' A' ' 93' ' ' ARG . 82.9 tt0 -160.62 -54.0 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.583 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.679 ' CD ' ' H ' ' A' ' 90' ' ' GLU . 1.6 pm0 -45.8 -42.93 12.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.682 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.77 -44.0 64.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.784 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -57.11 -33.45 67.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.762 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 95.6 mtt-85 -62.02 -33.05 73.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.62 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 98' ' ' ALA . 27.4 mt -64.78 -31.86 73.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.603 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.581 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 10.5 m-85 -71.81 -35.03 69.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.589 ' C ' HE22 ' A' ' 99' ' ' GLN . 45.6 ttp180 -86.21 -20.59 28.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.785 179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.705 ' N ' HE22 ' A' ' 99' ' ' GLN . 97.1 mt -103.27 -46.96 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.182 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -104.56 -20.84 13.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.197 -173.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.848 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.48 55.97 6.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.8 -178.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 20.5 t -153.35 121.94 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.444 -178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.455 HH11 ' HG3' ' A' ' 101' ' ' ARG . 12.2 tpt85 -159.76 125.61 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.518 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 93.7 t -148.58 149.13 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.577 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.79 129.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.594 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -86.22 176.69 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.445 -177.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.413 ' OD1' ' OG ' ' A' ' 150' ' ' SER . 15.4 m-20 -52.19 117.56 2.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.539 -178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.408 HG13 ' CG1' ' A' ' 140' ' ' VAL . 25.3 t -52.17 -15.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.602 179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -75.87 -35.83 59.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.413 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.68 -14.41 13.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.523 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.68 ' NE2' HH21 ' A' ' 111' ' ' ARG . 53.1 tt0 53.93 67.9 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.689 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.3 m -88.68 123.23 32.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.206 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.68 HH21 ' NE2' ' A' ' 109' ' ' GLN . 98.9 mtt180 -109.78 133.35 53.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.974 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.4 t -114.53 145.74 41.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.941 -0.572 . . . . 1.0 109.842 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.4 mt -147.53 154.78 10.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.963 0.411 . . . . 1.0 110.99 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.7 p -76.76 167.58 21.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.409 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -155.88 148.12 17.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.62 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.587 ' O ' ' N ' ' A' ' 118' ' ' SER . 87.1 Cg_exo -41.47 132.49 3.58 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.812 2.341 . . . . 1.0 112.045 179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 118' ' ' SER . 96.2 mt-10 42.58 -87.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.55 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 116' ' ' PRO . 0.7 OUTLIER 82.18 172.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.58 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 23.1 p90 -58.24 138.68 56.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.502 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -93.86 -74.08 1.24 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 37.8 mt -90.21 130.85 36.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 1.0 110.522 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.8 p -94.6 -1.89 52.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.549 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.55 63.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.576 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -68.03 -34.45 76.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.641 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.1 p -124.72 93.33 46.33 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.621 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 128' ' ' GLY . 21.6 Cg_exo -67.39 158.53 56.59 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.846 2.364 . . . . 1.0 112.128 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 127' ' ' LEU . 9.7 mp 40.95 -96.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 80.19 19.51 69.34 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.874 -0.891 . . . . 1.0 110.874 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -144.81 161.85 41.21 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 1.0 110.592 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.638 ' C ' ' H ' ' A' ' 132' ' ' GLN . 83.0 Cg_exo -43.85 168.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.931 2.421 . . . . 1.0 112.204 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.74 14.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.512 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.638 ' H ' ' C ' ' A' ' 130' ' ' PRO . 58.1 mm-40 -138.58 155.23 48.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.453 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -126.47 114.2 23.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.41 141.79 14.4 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 122.938 2.426 . . . . 1.0 112.314 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.04 135.39 62.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.375 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.524 ' CG ' HMD2 ' A' ' 301' ' ' CYC . 1.4 m-20 -40.01 138.38 1.1 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.757 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.53 -18.55 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.015 2.477 . . . . 1.0 111.762 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.889 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -63.1 -51.11 67.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -71.04 -30.75 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.131 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.408 ' CG1' HG13 ' A' ' 106' ' ' VAL . 41.4 t -58.69 -58.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.25 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -66.09 -46.15 78.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.341 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -44.89 -41.41 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.333 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 45.0 mt -74.78 -41.31 60.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.467 178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -58.52 -44.27 89.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.491 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 39.5 m -63.73 -18.33 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 13.9 mmm -94.4 0.1 55.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.76 22.23 72.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 20.1 t -110.17 143.66 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 1.0 110.696 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.06 -45.61 3.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.187 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.413 ' OG ' ' OD1' ' A' ' 105' ' ' ASP . 68.2 m -133.6 121.62 22.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.031 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 30.0 t -129.8 139.98 51.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 1.0 110.939 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.18 134.41 45.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.081 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.427 HG22 HG23 ' A' ' 167' ' ' VAL . 45.3 t -113.81 128.96 70.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.94 0.4 . . . . 1.0 110.992 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.9 t -132.1 117.44 15.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.009 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.63 150.45 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.976 2.451 . . . . 1.0 112.794 -175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.8 mt -114.43 110.31 19.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.098 177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.3 ptm -136.56 159.11 42.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 1.0 110.694 -175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.645 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 39.0 t-80 -132.39 122.94 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.569 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 19.9 t60 64.89 -105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.507 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.25 -6.18 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.481 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -102.97 152.37 21.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.582 -175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 23.8 tp -104.84 125.73 51.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.461 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -99.63 -41.95 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.692 -176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -163.75 -176.11 35.34 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.182 -0.767 . . . . 1.0 111.182 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -139.6 141.03 37.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.854 0.359 . . . . 1.0 110.698 -179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.1 tp -103.91 150.84 23.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.164 178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.427 HG23 HG22 ' A' ' 153' ' ' VAL . 11.0 p -155.51 132.82 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 1.0 111.066 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 8.5 m -117.24 136.99 52.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.169 178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -108.4 130.38 55.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.97 0.414 . . . . 1.0 111.088 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.673 ' CD2' HH12 ' A' ' 174' ' ' ARG . 4.9 t60 -128.42 128.08 43.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.335 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -71.75 -26.4 62.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.584 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -101.2 153.59 37.69 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.548 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.47 ' O ' ' O ' ' A' ' 174' ' ' ARG . 48.2 Cg_endo -69.81 -92.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.842 2.361 . . . . 1.0 112.225 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.673 HH12 ' CD2' ' A' ' 170' ' ' HIS . 20.8 ttp-105 58.68 127.04 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.55 164.95 27.84 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.83 2.354 . . . . 1.0 112.14 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -106.36 148.32 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.416 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 24.6 t -91.0 151.87 20.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.614 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . 0.508 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 4.0 mp0 -61.73 -30.54 70.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.402 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.7 tp10 -81.09 -56.11 4.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.477 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.07 -36.29 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.354 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.29 -43.93 98.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -69.67 -50.46 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.246 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 58.1 t -43.63 -41.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.128 179.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 93.2 t -74.71 -50.02 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -49.0 -34.91 14.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.201 -0.454 . . . . 1.0 109.877 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 20.3 tp -72.19 -44.49 62.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.935 -0.575 . . . . 1.0 109.993 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 191' ' ' VAL . 56.3 tp -51.93 -45.07 64.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.836 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.31 87.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.769 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -59.28 -37.72 78.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.701 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -68.66 -30.74 69.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.881 -0.599 . . . . 1.0 109.867 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 187' ' ' LEU . 41.6 t -76.2 -49.6 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.054 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 12.2 p -54.23 -32.71 56.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.013 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 30.7 mt -67.89 -34.75 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.113 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.06 86.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.252 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.4 mt -56.78 -47.78 82.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.201 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.645 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -67.51 -50.05 60.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.273 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -60.72 -47.19 87.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.265 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.64 -33.61 76.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.319 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.99 -41.65 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.418 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.5 mp -48.9 -35.04 13.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.468 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.1 m -53.17 -61.24 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.47 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.513 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.889 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 31' ' ' LEU . 10.8 mp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.783 0.325 . . . . 1.0 110.593 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -50.32 -34.61 24.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.667 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -75.26 -50.65 15.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.702 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 38' ' ' THR . 95.9 mt -58.58 -45.71 90.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.705 179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.55 ' O ' ' OG1' ' A' ' 38' ' ' THR . 32.6 mt -57.54 -31.16 65.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.599 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.51 ' O ' HG12 ' A' ' 39' ' ' VAL . 57.3 ttm-85 -64.17 -41.06 97.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.759 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.713 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.583 ' O ' HG23 ' A' ' 42' ' ' VAL . 61.7 p -66.9 -37.17 83.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.741 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.631 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -72.04 -25.23 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.719 -178.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -72.38 -44.85 61.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.707 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.24 -36.0 71.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.74 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 38' ' ' THR . 45.4 t -59.65 -53.07 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.744 ' O ' ' N ' ' A' ' 47' ' ' GLY . 70.8 ttp85 -51.16 -44.96 61.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.7 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.41 -46.63 80.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.646 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.76 -41.6 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.55 -177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 14.9 mt -95.37 -13.31 24.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.505 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.744 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.04 26.52 6.09 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.9 p -75.98 142.42 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 1.0 110.652 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -47.74 -45.16 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.514 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.798 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 44.2 ttt85 -145.86 137.32 24.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.883 -176.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.7 p -147.66 132.81 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 175.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.636 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 10.6 pttm -137.67 154.65 49.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.481 . . . . 1.0 111.142 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.585 HG22 ' CD1' ' A' ' 166' ' ' LEU . 62.2 t -101.08 140.01 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.861 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 165' ' ' LEU . 22.4 t80 -123.85 123.34 40.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.98 0.419 . . . . 1.0 111.188 -178.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' CA ' ' A' ' 62' ' ' GLY . 16.5 ptm180 -103.96 144.91 30.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.849 -0.614 . . . . 1.0 109.971 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.75 132.74 47.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.923 0.392 . . . . 1.0 110.889 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 60' ' ' GLY . 6.4 m-20 -96.78 155.52 37.59 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.475 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -38.66 -51.86 2.18 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.784 2.322 . . . . 1.0 112.113 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 97.3 mt-10 -70.18 -12.18 61.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 -178.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.598 ' C ' ' HB2' ' A' ' 84' ' ' ALA . . . 102.3 -6.24 53.09 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.646 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 50.2 p-80 -82.75 101.09 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.776 0.322 . . . . 1.0 110.66 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -85.63 167.42 40.65 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.2 p -137.7 161.04 37.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 1.0 110.595 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.752 HG12 ' O ' ' A' ' 80' ' ' LEU . 14.9 p -95.09 110.35 23.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.585 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 65' ' ' VAL . 18.3 t -109.88 -0.19 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.397 -177.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.631 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -155.6 126.94 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.522 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -161.81 141.12 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.517 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.7 144.12 47.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.632 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -125.39 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 -178.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.83 139.35 14.37 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.571 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.43 44.59 3.16 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 71' ' ' GLY . 17.5 pt-20 33.18 31.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 1.0 110.59 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.0 ttm180 -69.24 -45.92 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.531 -179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.78 127.03 29.26 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.613 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.489 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 77.2 Cg_exo -49.49 156.75 2.61 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.816 2.344 . . . . 1.0 112.023 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' HH22 ' A' ' 50' ' ' ARG . 35.2 t -85.49 118.77 25.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.672 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.798 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 41.8 mt -100.83 7.29 43.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.463 178.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD21 HH12 ' A' ' 36' ' ' ARG . 21.5 tp -60.3 137.06 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.485 -177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.564 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -6.55 83.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 176.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.752 ' O ' HG12 ' A' ' 64' ' ' VAL . 81.6 mt -86.86 141.63 28.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 1.0 110.505 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.4 t -102.34 134.52 45.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.421 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -104.9 108.29 60.76 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.492 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.459 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 53.1 Cg_exo -47.21 145.05 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.771 2.314 . . . . 1.0 112.174 178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.598 ' HB2' ' C ' ' A' ' 60' ' ' GLY . . . -64.95 -34.48 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.801 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.39 -19.15 0.67 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 35.0 p-10 -65.8 -31.01 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.794 0.33 . . . . 1.0 110.475 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 34.9 mm -113.14 132.57 22.34 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.606 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.56 -105.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -160.67 -49.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -53.32 -43.97 68.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.683 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.09 -37.87 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.825 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -63.37 -32.12 73.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 97' ' ' LEU . 95.1 mtt180 -64.84 -37.76 88.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.9 mt -58.07 -37.19 73.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.6 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 76.0 m-85 -67.89 -34.91 77.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.676 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.466 ' O ' ' OE1' ' A' ' 99' ' ' GLN . 27.7 ttm105 -88.34 -22.88 23.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.813 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' C ' HE22 ' A' ' 99' ' ' GLN . 67.9 mt -95.37 -50.67 4.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.156 -175.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.548 ' C ' HE21 ' A' ' 99' ' ' GLN . . . -107.55 -14.65 14.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.238 -173.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.74 ' N ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 44.05 55.17 5.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.838 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 99' ' ' GLN . 11.0 m -159.4 124.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.354 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -171.07 128.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.459 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.3 p -144.96 154.11 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.6 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 4.5 mt -106.75 127.03 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.626 HG12 ' N ' ' A' ' 105' ' ' ASP . 16.7 t -83.54 170.84 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 -177.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.626 ' N ' HG12 ' A' ' 104' ' ' VAL . 62.6 t0 -51.77 116.52 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.573 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG23 HG13 ' A' ' 140' ' ' VAL . 8.9 p -50.08 -17.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.62 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -74.43 -38.03 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.465 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -17.16 40.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.555 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 55.28 65.22 1.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.715 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.7 m -89.82 124.74 34.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.208 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.2 mtm105 -111.36 131.66 55.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.982 0.42 . . . . 1.0 110.934 -176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.799 ' C ' HD12 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -117.18 150.81 38.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.94 177.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.799 HD12 ' C ' ' A' ' 112' ' ' SER . 5.2 mp -149.9 158.95 5.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.747 -0.381 . . . . 1.0 111.021 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.528 ' N ' HG22 ' A' ' 113' ' ' ILE . 66.6 m -73.73 174.14 8.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.359 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -143.94 152.75 56.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.606 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.36 -4.56 12.06 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.883 2.388 . . . . 1.0 112.059 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.472 ' O ' ' N ' ' A' ' 119' ' ' TRP . 78.0 mm-40 -57.15 -38.11 73.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.482 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.56 ' OG ' ' N ' ' A' ' 119' ' ' TRP . 6.2 p 65.9 -63.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.559 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.56 ' N ' ' OG ' ' A' ' 118' ' ' SER . 99.2 m95 -65.74 137.21 57.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -104.6 -75.76 1.05 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.0 mt 43.75 72.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.767 0.318 . . . . 1.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.9 m -85.93 0.74 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.489 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.471 ' CB ' HH11 ' A' ' 124' ' ' ARG . . . -65.72 -54.8 22.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.628 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.54 ' N ' ' CD ' ' A' ' 124' ' ' ARG . 9.3 mpt_? -70.99 -29.37 65.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.559 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.5 p -125.26 101.11 31.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.547 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -84.08 145.43 11.07 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.802 2.334 . . . . 1.0 112.121 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.556 HD21 HG21 ' A' ' 100' ' ' VAL . 62.6 mt 40.04 -111.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.579 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 92.82 10.0 60.51 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -119.63 171.8 5.13 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 1.0 110.605 179.417 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.603 ' C ' ' H ' ' A' ' 132' ' ' GLN . 75.8 Cg_exo -49.55 168.29 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.002 2.468 . . . . 1.0 112.194 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' A' ' 132' ' ' GLN . 50.4 mt -65.33 16.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.504 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.603 ' H ' ' C ' ' A' ' 130' ' ' PRO . 12.8 mm100 -139.07 150.32 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.54 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.67 112.78 40.64 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 1.0 110.614 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -81.26 139.36 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.981 2.454 . . . . 1.0 112.288 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.7 m -121.68 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.399 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 138' ' ' CYS . 1.2 m-20 -42.02 143.41 1.0 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.743 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.16 -11.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.985 2.457 . . . . 1.0 111.803 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -59.94 -40.04 87.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.606 179.17 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.62 ' HD1' ' HG ' ' A' ' 143' ' ' LEU . 0.3 OUTLIER -86.03 -21.96 27.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.145 -179.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.439 HG13 HG23 ' A' ' 106' ' ' VAL . 33.7 t -58.03 -63.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.256 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -66.16 -49.91 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.337 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -45.84 -43.41 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.26 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.62 ' HG ' ' HD1' ' A' ' 139' ' ' HIS . 56.5 mt -74.74 -45.69 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.537 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -56.51 -45.81 80.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.5 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 88.4 p -64.33 -16.8 62.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.563 177.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 35.5 mmm -97.3 -1.59 44.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.496 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.03 22.05 72.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 57.3 t -109.56 142.25 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 1.0 110.72 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.27 -47.79 2.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.171 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.2 t -134.31 120.16 19.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.041 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 85.3 p -131.72 143.72 50.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.989 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.6 tp -101.76 134.73 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.98 -0.554 . . . . 1.0 110.118 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 5.8 t -113.82 127.3 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 1.0 110.937 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 166' ' ' LEU . 3.8 t -132.83 118.34 15.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.007 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 165' ' ' LEU . 73.8 Cg_endo -75.98 153.82 37.51 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.935 2.423 . . . . 1.0 112.751 -175.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 43.3 mt -116.83 109.75 17.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.121 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.535 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 17.9 ptm -134.49 158.96 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.901 0.382 . . . . 1.0 110.698 -174.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.669 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 31.0 t-80 -131.72 121.93 25.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.573 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 54.6 t60 65.01 -106.2 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -116.54 -4.89 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.522 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -102.74 149.53 24.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.619 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 25.8 tp -103.07 127.12 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.456 177.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -101.43 -43.63 5.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.652 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.503 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.21 -176.79 33.7 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.201 -0.76 . . . . 1.0 111.201 -176.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 54' ' ' TYR . 4.7 mp -139.81 139.95 36.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.785 0.326 . . . . 1.0 110.649 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.585 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.0 tp -103.87 152.81 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.235 178.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.457 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 13.3 p -158.97 137.31 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 111.059 -179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.5 p -119.17 132.87 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.144 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -104.22 131.64 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.965 0.412 . . . . 1.0 111.061 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -126.61 120.16 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.364 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.96 -23.09 66.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.645 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.74 163.12 17.82 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.53 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 174' ' ' ARG . 43.2 Cg_endo -69.69 -88.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.807 2.338 . . . . 1.0 112.239 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' PRO . 12.5 tpt180 58.7 120.62 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.74 165.05 27.3 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.895 2.397 . . . . 1.0 112.179 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -106.81 145.19 32.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.471 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 10.6 t -89.92 153.3 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.651 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.26 -31.8 65.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.437 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -87.28 -48.3 8.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.416 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -63.4 -28.14 69.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.401 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 57.4 tp -76.24 -46.91 25.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.286 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.66 -53.31 14.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 184' ' ' VAL . 3.8 p -45.35 -40.62 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.006 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.486 ' N ' ' CG1' ' A' ' 183' ' ' VAL . 55.5 t -71.99 -51.74 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.176 179.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -46.09 -29.46 1.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.987 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -44.72 65.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.96 178.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 86.0 mt -51.32 -45.62 62.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.754 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.45 98.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 1.0 109.831 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.666 ' O ' HD13 ' A' ' 193' ' ' ILE . 53.6 t0 -62.12 -40.5 96.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.003 -0.544 . . . . 1.0 109.773 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.8 -29.26 70.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.87 -0.604 . . . . 1.0 109.86 178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 51.4 t -77.3 -47.69 26.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 13.5 p -54.26 -35.53 62.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.949 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.666 HD13 ' O ' ' A' ' 189' ' ' ASP . 1.3 mp -66.45 -35.81 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.129 178.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -65.42 -38.27 89.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.261 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 9.5 mt -55.98 -49.01 77.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.21 178.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.669 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -66.06 -49.55 67.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.23 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -60.91 -48.07 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.335 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.11 77.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.309 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -52.19 -41.86 63.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.393 -177.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.01 -33.94 12.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.389 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.4 m -52.02 -60.07 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.451 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.629 ' N ' HD12 ' A' ' 202' ' ' LEU . 9.8 mp . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.927 -1.035 . . . . 1.0 110.496 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.636 HBB2 ' CE ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.806 0.336 . . . . 1.0 110.565 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 66.1 t0 -51.97 -33.56 38.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -76.13 -49.47 17.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.699 -179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 38' ' ' THR . 95.5 mt -60.42 -46.06 95.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.508 ' O ' ' OG1' ' A' ' 38' ' ' THR . 22.3 mt -58.18 -32.13 67.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.699 -178.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.54 ' O ' HG12 ' A' ' 39' ' ' VAL . 36.3 mtp180 -68.44 -39.21 81.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.04 -25.49 58.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.739 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 34' ' ' ILE . 34.2 p -69.74 -38.1 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.684 -178.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.664 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.4 p -68.78 -25.74 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.717 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -78.57 -37.95 41.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -74.72 -54.15 7.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.718 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 43' ' ' ARG . 26.1 m -53.57 -47.83 59.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.729 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.657 ' O ' ' N ' ' A' ' 47' ' ' GLY . 43.3 ttt180 -52.07 -45.95 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.737 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.55 -40.56 62.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.612 -179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -67.94 -35.49 78.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.58 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.5 mt -95.41 -14.6 23.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.545 -179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.657 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 49.01 27.15 6.47 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.561 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 12.8 p -76.28 142.63 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 1.0 110.608 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.78 -45.82 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.586 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.689 ' NH2' ' H ' ' A' ' 77' ' ' LEU . 43.4 ttt180 -143.24 134.46 25.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.874 -175.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 10.8 t -139.81 130.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.826 -0.624 . . . . 1.0 109.965 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 147.4 49.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.06 0.457 . . . . 1.0 111.116 -177.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' ' 66' ' ' ALA . 63.1 t -98.23 138.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.862 176.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.473 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 19.0 t80 -116.34 115.01 25.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.092 0.473 . . . . 1.0 111.196 -177.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 56' ' ' PHE . 0.0 OUTLIER -91.67 130.17 37.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.001 179.17 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.422 ' N ' ' HD3' ' A' ' 55' ' ' ARG . 3.9 t80 -98.03 128.98 44.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.905 0.383 . . . . 1.0 110.964 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 4.6 m-20 -91.82 151.17 41.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.476 178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -57.5 -19.54 36.91 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.871 2.381 . . . . 1.0 112.123 -178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -91.56 1.66 56.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.66 -17.27 59.17 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.463 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 73.1 m80 -77.49 150.08 34.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 1.0 110.673 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -136.71 159.32 24.49 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.6 p -135.14 158.79 43.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 1.0 110.585 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 t -90.12 107.5 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.636 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.1 t -104.46 -5.25 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.434 -178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.664 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -154.91 126.13 7.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.512 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.615 ' CD ' HH21 ' A' ' 50' ' ' ARG . 34.8 tt0 -158.62 139.23 12.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.44 134.64 43.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.616 178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -114.17 140.62 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.607 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' HA2' HH22 ' A' ' 43' ' ' ARG . . . -99.2 137.92 13.55 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.03 34.89 0.33 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.829 -0.908 . . . . 1.0 110.829 179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 43.67 16.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.355 . . . . 1.0 110.631 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 71' ' ' GLY . 63.6 ttt180 -53.29 -46.52 69.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.529 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -103.82 148.75 36.31 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.547 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.658 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 39.8 Cg_endo -67.6 157.31 62.34 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.815 2.343 . . . . 1.0 112.002 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 t -89.0 119.51 29.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.727 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.689 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 21.0 mt -103.12 8.8 38.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.8 tp -62.55 139.27 58.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.545 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.25 -7.33 81.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.891 -0.883 . . . . 1.0 110.891 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 80' ' ' LEU . 86.4 mt -86.33 145.96 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.53 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 81' ' ' THR . 14.3 t -104.43 132.54 50.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.452 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -100.38 139.19 20.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -71.87 137.08 28.87 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.721 2.281 . . . . 1.0 112.126 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.21 -39.92 84.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.819 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.05 -19.06 3.37 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -69.62 -27.82 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 1.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.632 ' O ' ' O ' ' A' ' 88' ' ' PRO . 5.7 mt -114.98 91.1 25.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.501 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.632 ' O ' ' O ' ' A' ' 87' ' ' ILE . 75.0 Cg_exo -37.4 -113.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.878 2.385 . . . . 1.0 112.166 -179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.45 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.8 tt0 -159.04 -53.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.633 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -48.32 -41.9 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.708 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.33 -40.99 67.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.798 -179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -63.95 -33.94 76.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.638 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.412 ' NH2' ' OE2' ' A' ' 89' ' ' GLU . 64.8 mmt-85 -63.31 -37.1 85.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.633 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.0 -35.15 74.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.508 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 55.7 m-85 -67.76 -34.83 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.704 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.609 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 36.6 ttm180 -88.95 -19.44 25.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.812 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.546 ' C ' HE22 ' A' ' 99' ' ' GLN . 70.7 mt -93.47 -51.76 4.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.208 -176.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 127' ' ' LEU . . . -112.81 -11.13 13.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.18 -172.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.766 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.1 OUTLIER 44.65 48.85 8.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.837 -178.406 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.479 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 24.2 t -155.41 115.65 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.36 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.479 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 5.4 mtp85 -169.37 128.61 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.496 178.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 103' ' ' ILE . 2.4 p -145.09 155.94 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.612 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 102' ' ' VAL . 51.6 mt -106.57 129.32 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.53 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.692 HG22 ' H ' ' A' ' 105' ' ' ASP . 6.3 p -84.89 173.09 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.422 -177.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.692 ' H ' HG22 ' A' ' 104' ' ' VAL . 65.5 t0 -51.99 117.84 3.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.582 -178.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.554 HG23 HG13 ' A' ' 140' ' ' VAL . 11.3 p -51.93 -20.89 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.556 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -68.12 -39.64 82.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.435 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.03 -12.1 3.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.54 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 52.54 69.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 10.2 p -94.52 122.62 37.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.197 176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.9 mtm180 -110.64 135.93 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.028 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.535 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.1 p -117.71 153.38 33.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.004 -0.544 . . . . 1.0 109.897 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.565 HG22 ' N ' ' A' ' 114' ' ' SER . 36.4 mt -154.48 160.87 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.94 0.4 . . . . 1.0 111.009 -179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.565 ' N ' HG22 ' A' ' 113' ' ' ILE . 57.3 m -71.29 162.04 30.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.412 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -158.04 151.04 18.4 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.679 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.05 131.94 26.68 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.825 2.35 . . . . 1.0 112.029 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 46.85 76.89 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.4 t -62.3 -97.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.538 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.59 ' HE1' ' CB ' ' A' ' 122' ' ' SER . 63.3 t-105 -142.62 160.81 39.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.537 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -83.36 -177.19 51.73 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 122' ' ' SER . 52.1 mt -57.38 -45.72 84.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.321 . . . . 1.0 110.557 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.59 ' CB ' ' HE1' ' A' ' 119' ' ' TRP . 35.5 m 39.63 36.28 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.555 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -63.67 -55.75 21.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -48.93 -12.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.618 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.455 ' H ' ' C ' ' A' ' 123' ' ' ALA . 8.8 t -99.98 130.75 25.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.564 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 128' ' ' GLY . 73.8 Cg_endo -75.81 160.36 37.56 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.804 2.336 . . . . 1.0 112.055 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.605 ' C ' ' H ' ' A' ' 129' ' ' GLU . 54.3 mt 57.71 -79.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.498 -179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 67.51 -29.3 0.22 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.605 ' H ' ' C ' ' A' ' 127' ' ' LEU . 65.5 mm-40 -127.4 136.12 28.45 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.841 0.353 . . . . 1.0 110.623 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -46.44 157.51 0.45 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.934 2.423 . . . . 1.0 112.192 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.42 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 57.5 mt -57.99 -32.01 67.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.482 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 132' ' ' GLN . 1.8 pt20 -129.69 132.03 46.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.496 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -132.51 154.92 81.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.59 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.81 139.8 17.94 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.894 2.396 . . . . 1.0 112.28 179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 139' ' ' HIS . 3.2 p -108.05 126.42 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.412 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.535 ' N ' ' OG ' ' A' ' 112' ' ' SER . 13.5 t70 -38.01 137.61 0.73 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.77 -179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -47.34 -43.34 26.71 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.95 2.433 . . . . 1.0 111.706 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.448 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -52.85 -30.06 31.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.56 -179.217 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.644 ' NE2' ' NA ' ' A' ' 301' ' ' CYC . 1.0 OUTLIER -88.25 -27.76 21.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.112 177.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.554 HG13 HG23 ' A' ' 106' ' ' VAL . 86.3 t -59.37 -50.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.225 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -63.53 -46.56 85.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -47.1 -43.84 20.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.3 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 21.8 mt -73.17 -45.41 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.449 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -53.97 -44.31 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.65 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 37.7 m -64.18 -17.03 63.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.57 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 48.6 mmm -96.19 -4.67 42.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.447 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 77.89 20.81 72.71 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.6 136.1 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 1.0 110.62 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.09 -56.63 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.166 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 69.1 m -130.41 114.92 16.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.006 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 68.5 m -131.38 143.73 50.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.378 . . . . 1.0 111.023 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.5 mt -102.2 130.53 48.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.012 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.97 104.75 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.01 -178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 166' ' ' LEU . 42.8 t -108.89 123.01 38.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.969 177.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.11 156.01 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.883 2.388 . . . . 1.0 112.807 -175.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.9 mt -116.25 108.87 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.857 -0.611 . . . . 1.0 110.183 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.5 ptm -136.01 161.0 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 1.0 110.719 -175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.554 ' CG ' ' CB ' ' A' ' 196' ' ' ALA . 54.9 t-80 -143.38 122.39 12.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.5 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.472 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 0.8 OUTLIER 77.0 -114.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.546 -177.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -117.74 -4.8 11.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.482 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -106.41 158.74 16.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.63 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.407 ' HB2' ' HE ' ' A' ' 96' ' ' ARG . 25.3 tp -108.51 129.46 55.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.447 178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 32.6 m95 -100.52 -41.93 6.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.639 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.88 -176.3 33.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.158 -0.777 . . . . 1.0 111.158 -177.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.6 mp -138.72 139.56 38.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.883 0.373 . . . . 1.0 110.647 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.555 ' CD1' HG22 ' A' ' 53' ' ' VAL . 8.2 tp -104.74 153.49 21.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.152 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.429 ' N ' ' HG ' ' A' ' 166' ' ' LEU . 11.3 p -160.98 138.37 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 1.0 111.081 -178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.522 ' HB2' HG21 ' A' ' 48' ' ' THR . 89.8 p -116.56 137.34 52.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.121 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -106.17 127.94 53.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.368 . . . . 1.0 111.032 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.416 ' HE2' ' HD3' ' A' ' 174' ' ' ARG . 1.6 t-80 -125.09 119.7 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.393 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.95 -22.27 66.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.571 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.72 156.24 43.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.526 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.47 -81.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.807 2.338 . . . . 1.0 112.172 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.416 ' HD3' ' HE2' ' A' ' 170' ' ' HIS . 55.7 mtp85 50.64 92.8 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.408 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.45 164.95 1.77 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.863 2.375 . . . . 1.0 112.216 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 25.6 p90 -109.69 148.3 31.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.382 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 17.0 t -88.3 151.15 22.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.629 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.95 -27.8 68.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.427 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -81.16 -56.12 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.488 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.73 -37.06 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.364 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.25 -46.61 76.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.324 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -70.74 -51.27 28.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.199 -179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.3 t -44.35 -42.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.057 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 71.2 t -72.68 -49.98 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.169 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -46.83 -31.34 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.979 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.7 tp -68.4 -46.17 70.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.977 -0.556 . . . . 1.0 109.904 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.92 -43.91 60.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 1.0 109.822 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -59.62 -47.83 84.03 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.79 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -59.96 -38.26 81.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.021 -0.536 . . . . 1.0 109.796 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -68.01 -32.93 73.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.848 -0.615 . . . . 1.0 109.92 178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.5 -49.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.036 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -33.46 52.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 1.0 109.944 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.5 mt -66.65 -33.96 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.129 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.59 -39.37 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.265 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 11.7 mt -54.3 -57.66 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.257 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.554 ' CB ' ' CG ' ' A' ' 158' ' ' HIS . . . -63.35 -48.38 78.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.277 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -60.6 -47.18 87.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.259 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.2 77.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.355 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -50.87 -38.76 51.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 53.8 mt -48.19 -32.94 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.439 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 78.7 p -51.33 -59.57 4.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.455 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.523 179.802 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.772 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.841 0.353 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -54.25 -32.24 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -76.69 -49.79 15.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.7 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.578 ' O ' HG23 ' A' ' 38' ' ' THR . 96.6 mt -57.37 -50.86 75.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.659 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.688 HD22 HH12 ' A' ' 55' ' ' ARG . 89.8 mt -56.47 -32.48 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.67 -178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.539 ' O ' HG12 ' A' ' 39' ' ' VAL . 69.4 ttt180 -64.06 -40.95 97.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.52 -26.84 58.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.751 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 34' ' ' ILE . 74.4 p -68.4 -36.75 79.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.66 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.704 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.3 p -71.32 -26.62 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.702 -178.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -78.13 -40.09 39.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.659 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.94 -53.13 9.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.732 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.634 HG13 ' N ' ' A' ' 43' ' ' ARG . 11.3 p -52.62 -47.83 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.75 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' N ' ' A' ' 47' ' ' GLY . 73.4 ttt-85 -53.83 -44.89 70.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.26 -41.66 65.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.612 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -65.83 -36.31 83.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.578 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 15.8 mt -95.57 -12.85 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.491 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.9 27.28 4.79 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 13.2 p -76.2 144.17 40.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 1.0 110.629 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -45.04 -45.84 11.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.679 ' HE ' ' CE1' ' A' ' 169' ' ' HIS . 11.1 ptt180 -147.33 145.53 29.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.874 -177.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 30.0 t -144.78 133.67 18.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 109.977 175.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.595 ' HZ3' HD12 ' A' ' 77' ' ' LEU . 40.7 mttt -136.03 149.22 48.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.053 0.454 . . . . 1.0 111.189 -177.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 166' ' ' LEU . 51.3 t -100.18 137.61 27.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.911 176.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.477 ' O ' ' CA ' ' A' ' 164' ' ' GLY . 27.7 t80 -117.72 114.34 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.935 0.397 . . . . 1.0 111.226 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.688 HH12 HD22 ' A' ' 35' ' ' LEU . 6.5 mmp_? -94.65 137.89 33.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.93 140.31 36.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.942 0.401 . . . . 1.0 110.929 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' HIS . 35.8 m-20 -99.85 151.53 37.51 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.532 178.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -53.77 -20.21 16.67 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.842 2.362 . . . . 1.0 112.068 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.47 1.96 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 -15.93 61.8 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.533 ' O ' ' N ' ' A' ' 57' ' ' ASP . 33.8 m80 -75.36 146.69 40.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.799 0.333 . . . . 1.0 110.614 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.84 156.07 21.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 157.67 45.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 1.0 110.563 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -91.46 108.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.565 178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 t -104.21 -2.1 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.438 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.704 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.58 125.71 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.559 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -157.32 138.41 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.461 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.75 143.78 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.657 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -124.96 140.84 52.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.658 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.58 141.7 15.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.629 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 41.41 44.15 3.93 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 71' ' ' GLY . 18.0 pt-20 32.63 29.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.895 0.379 . . . . 1.0 110.61 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 71' ' ' GLY . 12.1 tpp85 -66.71 -44.12 82.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.518 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.437 HD13 HH11 ' A' ' 50' ' ' ARG . 25.7 mt -117.22 146.36 38.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.543 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.41 166.41 25.62 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.792 2.328 . . . . 1.0 111.973 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 p -97.7 126.8 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.727 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.595 HD12 ' HZ3' ' A' ' 52' ' ' LYS . 17.7 mt -96.28 11.75 33.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.496 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.1 tp -59.75 134.63 57.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.489 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.79 -10.35 70.5 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 77' ' ' LEU . 65.1 mt -83.93 145.09 28.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 1.0 110.52 178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 p -107.41 139.06 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.392 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -108.16 141.28 22.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.424 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -72.19 137.02 27.95 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.754 2.303 . . . . 1.0 112.154 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -62.89 -35.79 81.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.804 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.17 -17.26 0.96 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.406 ' N ' ' C ' ' A' ' 84' ' ' ALA . 92.6 m-20 -70.11 -27.22 64.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 1.0 110.511 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.556 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.7 mm -113.69 101.46 53.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.553 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.4 Cg_exo -44.77 -116.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.894 2.396 . . . . 1.0 112.092 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.413 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.7 tt0 -156.11 -54.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -46.87 -43.36 18.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.675 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.511 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -71.5 -46.51 59.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.764 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -54.39 -34.0 60.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.64 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -64.21 -35.95 82.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.541 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.5 ' CD1' HH21 ' A' ' 133' ' ' ARG . 27.9 mt -60.91 -35.51 76.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 -177.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.511 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 32.2 m-85 -68.52 -30.81 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.658 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.568 ' C ' HE21 ' A' ' 99' ' ' GLN . 48.7 ttp180 -91.94 -21.66 20.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.793 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.584 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 75.9 mt -92.0 -49.42 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.222 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.23 -12.4 14.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.251 -173.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.584 ' NE2' ' C ' ' A' ' 97' ' ' LEU . 13.8 mp0 43.52 57.66 3.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.844 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 99' ' ' GLN . 6.5 m -157.96 124.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.409 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.439 ' HA ' ' HE ' ' A' ' 101' ' ' ARG . 1.1 tpm_? -165.16 128.51 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.49 178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.8 p -146.38 151.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.575 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 77.2 mt -113.94 129.41 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.603 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 105' ' ' ASP . 7.6 t -87.57 174.75 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.437 -176.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.732 ' H ' HG12 ' A' ' 104' ' ' VAL . 29.9 m-20 -50.79 117.77 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.576 -179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 106' ' ' VAL . 25.5 t -50.71 -14.82 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.53 179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.2 tt0 -67.12 -40.85 86.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.393 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.41 1.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.483 178.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.473 ' H ' ' C ' ' A' ' 107' ' ' GLU . 14.0 pt20 37.44 70.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 p -89.67 123.5 33.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.256 177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -111.52 140.38 46.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.997 -176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -122.38 157.57 31.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.864 178.11 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.509 HG23 ' O ' ' A' ' 112' ' ' SER . 23.7 pt -156.98 163.61 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.924 0.392 . . . . 1.0 111.033 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.5 t -74.45 169.79 17.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.384 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 116' ' ' PRO . 9.6 tt0 -173.33 66.8 0.34 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.638 -179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' GLN . 3.9 Cg_exo -32.78 148.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.786 2.324 . . . . 1.0 112.048 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 53.98 93.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.504 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.8 p -149.12 177.55 9.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.528 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.2 m-90 -61.41 150.34 35.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.537 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 156.12 47.92 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.9 mp -54.63 -57.55 10.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 1.0 110.606 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.6 t -169.21 175.22 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.473 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.467 ' HB3' ' NH2' ' A' ' 124' ' ' ARG . . . -78.91 -3.48 45.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.554 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 123' ' ' ALA . 15.6 mmp_? -58.05 -22.11 48.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 3.1 m -98.64 128.42 32.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.583 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.44 153.7 31.08 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.76 2.306 . . . . 1.0 112.099 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.434 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 66.3 mt 57.56 -104.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.547 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.66 -23.83 30.73 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.4 OUTLIER -130.88 159.17 72.6 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.408 . . . . 1.0 110.527 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.544 ' C ' ' H ' ' A' ' 132' ' ' GLN . 83.1 Cg_exo -46.81 166.41 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.906 2.404 . . . . 1.0 112.233 179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.82 5.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.471 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.544 ' H ' ' C ' ' A' ' 130' ' ' PRO . 24.3 mm-40 -138.55 159.39 42.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.498 -179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.5 HH21 ' CD1' ' A' ' 94' ' ' LEU . 22.2 tpt85 -135.65 88.02 24.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.551 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.427 ' O ' ' OG ' ' A' ' 112' ' ' SER . 76.4 Cg_exo -48.65 141.61 20.05 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.018 2.479 . . . . 1.0 112.266 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 135' ' ' VAL . 13.8 m -115.63 130.68 69.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.396 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.593 ' HB2' HMD2 ' A' ' 301' ' ' CYC . 0.4 OUTLIER -41.48 154.67 0.23 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.797 178.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -57.49 -12.32 10.69 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.985 2.456 . . . . 1.0 111.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.967 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.9 OUTLIER -68.56 -40.09 80.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.64 178.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -84.0 -27.99 28.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.079 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -55.61 -64.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.249 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -56.73 -41.7 77.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.409 178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.418 ' O ' ' CG ' ' A' ' 146' ' ' MET . 76.3 t80 -49.23 -46.6 46.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.3 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.82 -48.89 43.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -56.94 -45.52 82.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.601 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -64.17 -18.0 64.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.569 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.418 ' CG ' ' O ' ' A' ' 142' ' ' TYR . 19.1 mmm -97.11 -2.58 42.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.482 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.86 22.74 65.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.454 ' CG2' ' NH1' ' A' ' 50' ' ' ARG . 74.1 t -107.41 139.69 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.664 -179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -112.21 -47.08 3.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.171 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.4 t -135.27 123.1 22.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.063 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.2 t -132.3 141.01 48.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.972 0.415 . . . . 1.0 110.984 -179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 176' ' ' TYR . 1.8 tp -100.37 135.77 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.045 177.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.424 HG22 HG23 ' A' ' 167' ' ' VAL . 48.6 t -113.47 126.36 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.929 0.395 . . . . 1.0 110.98 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 5.5 t -129.65 113.85 17.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 1.0 109.981 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.3 152.02 43.98 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.891 2.394 . . . . 1.0 112.849 -174.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.587 HD12 HH21 ' A' ' 55' ' ' ARG . 42.7 mt -116.74 110.6 18.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.079 178.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.522 ' N ' ' OG ' ' A' ' 192' ' ' SER . 11.1 ptm -135.67 153.91 51.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 1.0 110.704 -177.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.471 ' ND1' ' CB ' ' A' ' 196' ' ' ALA . 80.0 t60 -122.42 122.39 38.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.515 177.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.467 ' C ' ' NE2' ' A' ' 160' ' ' GLN . 6.4 m-70 59.38 -102.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.525 -178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.467 ' NE2' ' C ' ' A' ' 159' ' ' HIS . 11.6 mp0 -116.74 -7.58 11.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.485 -177.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.83 148.78 24.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.626 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 18.6 tp -104.67 124.87 50.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.437 176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.421 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 76.9 m95 -101.48 -42.87 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.683 -176.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.477 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -162.45 -175.89 33.95 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.153 -0.779 . . . . 1.0 111.153 -176.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.8 mp -140.5 143.43 35.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.814 0.34 . . . . 1.0 110.707 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.576 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -107.59 153.4 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.15 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.424 HG23 HG22 ' A' ' 153' ' ' VAL . 10.7 p -160.53 138.03 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.968 0.413 . . . . 1.0 111.017 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 41.7 m -120.49 140.63 51.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.136 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.679 ' CE1' ' HE ' ' A' ' 50' ' ' ARG . 8.0 m80 -118.25 137.72 52.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.012 -178.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.505 ' ND1' ' N ' ' A' ' 171' ' ' ALA . 1.3 t-80 -131.11 132.4 44.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.39 178.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.505 ' N ' ' ND1' ' A' ' 170' ' ' HIS . . . -62.14 -23.47 66.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.64 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -118.09 151.44 49.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.556 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -38.43 -72.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.882 2.388 . . . . 1.0 112.209 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.828 ' HE ' ' H ' ' A' ' 174' ' ' ARG . 0.0 OUTLIER 47.8 75.83 0.62 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.97 172.67 0.34 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.796 2.33 . . . . 1.0 112.274 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.408 ' CD1' HD13 ' A' ' 152' ' ' LEU . 96.2 m-85 -118.39 139.6 51.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.429 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 11.3 m -84.0 151.74 24.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.655 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -60.64 -28.37 68.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.455 ' OE2' ' CG1' ' A' ' 183' ' ' VAL . 5.7 tm-20 -85.22 -53.03 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.463 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -64.38 -25.85 68.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.394 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 5.5 tt -75.56 -38.26 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.363 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -70.82 -57.57 4.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.244 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.455 ' CG1' ' OE2' ' A' ' 179' ' ' GLU . 19.3 m -47.73 -36.17 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.142 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 29.4 t -73.27 -53.14 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.138 178.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -45.97 -35.52 4.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 1.0 109.97 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.09 -39.3 72.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.925 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 8.5 tp -53.66 -46.48 70.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.833 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.32 93.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 1.0 109.848 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -56.53 -33.9 66.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.98 -0.555 . . . . 1.0 109.738 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -73.27 -28.39 62.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.809 178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 -50.25 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.054 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 157' ' ' MET . 7.4 t -51.66 -27.97 13.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 1.0 109.949 177.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 47.1 mt -75.96 -31.3 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.105 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.66 -41.33 88.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.285 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 196' ' ' ALA . 21.6 pt -68.97 -27.64 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.24 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.471 ' CB ' ' ND1' ' A' ' 158' ' ' HIS . . . -74.89 -53.68 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.202 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.4 ' CG ' ' N ' ' A' ' 198' ' ' ALA . 1.8 pt20 -67.3 -36.98 82.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.305 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 197' ' ' GLN . . . -66.57 -34.81 78.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.305 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -52.62 -41.35 63.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.489 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 200' ' ' LEU . 47.8 mt -47.95 -29.14 3.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 96.6 p -54.98 -58.64 6.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.44 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.542 179.554 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.967 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.76 0.314 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -48.97 -34.21 12.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.593 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.24 -49.79 18.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.701 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.595 ' O ' HG23 ' A' ' 38' ' ' THR . 5.0 mm -58.84 -46.24 91.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.611 178.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' O ' ' OG1' ' A' ' 38' ' ' THR . 39.9 mt -57.65 -32.44 67.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.615 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 39' ' ' VAL . 46.8 ttp180 -64.77 -40.79 95.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.795 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.85 -26.03 59.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.71 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 42' ' ' VAL . 69.2 p -69.38 -36.4 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.673 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.711 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.1 p -72.33 -24.83 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.699 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -74.67 -47.72 30.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.737 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 85.1 tt0 -70.38 -43.07 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.73 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 38' ' ' THR . 44.4 t -53.27 -55.84 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.728 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.673 ' O ' ' N ' ' A' ' 47' ' ' GLY . 65.4 ttt-85 -49.0 -42.06 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.717 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 41' ' ' GLU . . . -55.1 -45.38 75.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.648 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -63.44 -39.07 93.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.55 -178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 mt -94.7 -12.0 28.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.541 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.673 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.36 25.76 3.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.464 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 17.5 p -76.55 145.72 38.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 1.0 110.552 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -42.35 -48.41 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.453 -177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.477 HH21 HG21 ' A' ' 148' ' ' VAL . 26.0 ptt180 -151.0 145.55 25.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.859 -177.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 12.3 t -142.27 135.16 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.964 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HZ1' ' HD2' ' A' ' 50' ' ' ARG . 27.3 mttm -136.17 149.86 48.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 1.0 111.192 -176.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.699 HG22 ' CD1' ' A' ' 166' ' ' LEU . 47.2 t -100.69 137.93 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.732 -0.667 . . . . 1.0 109.846 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.4 t80 -117.63 118.68 32.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 1.0 111.227 -177.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -103.47 142.88 33.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.009 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.612 ' CG ' ' NH2' ' A' ' 92' ' ' ARG . 19.5 m-85 -102.58 146.82 27.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.001 0.429 . . . . 1.0 110.869 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.597 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.0 m-20 -102.03 150.84 37.81 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -46.65 -22.44 1.82 Allowed 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.784 2.323 . . . . 1.0 112.132 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -98.03 0.47 46.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.526 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.39 -14.08 61.09 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.597 ' O ' ' N ' ' A' ' 57' ' ' ASP . 21.0 m80 -71.98 144.01 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.827 0.346 . . . . 1.0 110.572 179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.86 152.69 19.44 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 p -133.94 157.2 46.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.796 0.332 . . . . 1.0 110.541 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 15.1 t -89.79 108.0 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.587 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -104.52 -4.02 9.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.414 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.711 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.03 124.92 6.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.601 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.1 tm-20 -156.76 139.55 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.452 -179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.2 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.607 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -122.48 140.83 52.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.584 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.08 140.91 15.27 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.525 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 39.98 34.93 0.6 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 42.45 18.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.616 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 71' ' ' GLY . 2.0 tpm_? -53.67 -44.27 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.594 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -119.93 149.1 48.1 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.593 179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.18 166.29 23.71 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.839 2.359 . . . . 1.0 112.059 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.421 ' OG ' ' OE1' ' A' ' 67' ' ' GLU . 26.0 t -99.09 131.67 44.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.629 -179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' HA ' HD12 ' A' ' 80' ' ' LEU . 21.3 mt -98.86 14.79 27.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.433 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 79' ' ' GLY . 0.6 OUTLIER -68.0 134.99 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.51 -177.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.481 ' N ' HD23 ' A' ' 78' ' ' LEU . . . 86.54 -10.71 66.11 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.832 -0.907 . . . . 1.0 110.832 177.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 77' ' ' LEU . 76.1 mt -83.76 148.71 26.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 1.0 110.526 178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 19.3 p -107.95 136.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.448 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -103.74 139.26 19.94 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.463 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -71.49 139.3 34.18 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.815 2.343 . . . . 1.0 112.092 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.34 97.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.774 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.04 -19.22 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -69.56 -9.84 55.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.357 . . . . 1.0 110.561 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 15.9 mt -136.96 132.14 18.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.615 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.46 -102.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.882 2.388 . . . . 1.0 112.097 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -170.47 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -50.58 -46.05 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.707 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.72 -37.17 76.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.612 ' NH2' ' CG ' ' A' ' 56' ' ' PHE . 76.7 ttt180 -64.72 -32.35 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.637 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 97' ' ' LEU . 65.4 mtp85 -63.96 -38.58 91.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.539 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 94' ' ' LEU . 10.7 mt -58.57 -36.45 73.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.547 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 66.2 m-85 -68.47 -28.54 67.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.724 178.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -95.05 -23.3 17.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.752 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.57 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 65.0 mt -91.22 -49.26 6.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.149 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.5 -10.53 13.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.163 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.57 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 7.0 mp0 41.59 58.37 2.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.807 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 100' ' ' VAL . 7.5 p -160.63 122.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.36 -178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.629 HH22 ' CG1' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -169.11 129.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 178.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -145.88 152.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.596 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.629 ' CG1' HH22 ' A' ' 101' ' ' ARG . 5.4 mt -108.69 128.66 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.571 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.686 HG22 ' H ' ' A' ' 105' ' ' ASP . 5.5 p -85.25 172.98 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.471 -177.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 104' ' ' VAL . 56.8 m-20 -51.69 117.76 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.508 -179.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.442 HG23 ' CG1' ' A' ' 140' ' ' VAL . 12.2 p -51.03 -18.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.605 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.5 tp10 -72.67 -37.73 67.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.61 -14.6 8.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.524 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 53.74 67.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.729 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.7 m -93.95 124.18 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.28 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 36.7 ptt-85 -111.4 138.35 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.968 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.533 ' OG ' ' C ' ' A' ' 134' ' ' PRO . 0.7 OUTLIER -124.59 156.64 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.871 178.049 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 114' ' ' SER . 36.7 mt -154.77 160.92 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.658 -0.417 . . . . 1.0 110.966 -178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.561 ' N ' HG22 ' A' ' 113' ' ' ILE . 72.6 p -74.82 173.69 10.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.376 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -144.48 80.44 11.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.621 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -77.82 82.21 2.48 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.872 2.382 . . . . 1.0 112.068 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 119' ' ' TRP . 96.0 mt-10 -140.96 115.48 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.497 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 119' ' ' TRP . 1.8 t 71.47 -29.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.528 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.56 ' CD2' ' N ' ' A' ' 120' ' ' GLY . 64.2 t90 50.29 176.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.56 ' N ' ' CD2' ' A' ' 119' ' ' TRP . . . 96.64 -12.68 66.02 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.854 -0.899 . . . . 1.0 110.854 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -95.59 55.29 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 1.0 110.569 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.5 m -55.9 -41.72 74.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 124' ' ' ARG . . . -63.52 -20.87 65.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.571 179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.626 ' HE ' ' CA ' ' A' ' 124' ' ' ARG . 0.0 OUTLIER 79.32 -154.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.573 -179.623 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.2 t -96.39 130.19 31.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.57 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.57 138.6 21.9 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.81 2.34 . . . . 1.0 112.136 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 25.0 mt 56.39 -163.72 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.562 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.41 40.18 91.48 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.447 ' OE1' HG21 ' A' ' 100' ' ' VAL . 3.4 pt-20 -114.3 97.42 45.83 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.937 0.398 . . . . 1.0 110.596 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.464 ' C ' ' H ' ' A' ' 132' ' ' GLN . 73.5 Cg_exo -48.4 160.53 0.56 Allowed 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.952 2.435 . . . . 1.0 112.209 179.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 68.1 mt -50.01 -11.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' A' ' 130' ' ' PRO . 6.6 mm100 -131.72 133.27 44.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -109.8 124.49 33.5 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.531 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.533 ' C ' ' OG ' ' A' ' 112' ' ' SER . 71.7 Cg_endo -76.98 139.75 19.62 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 123.02 2.48 . . . . 1.0 112.317 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' A' ' 112' ' ' SER . 2.3 m -120.58 132.01 71.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.443 178.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 140' ' ' VAL . 0.2 OUTLIER -37.29 152.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.711 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.03 -33.58 95.31 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.96 2.44 . . . . 1.0 111.816 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -61.84 -31.14 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.535 -179.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.655 ' CD2' ' ND ' ' A' ' 301' ' ' CYC . 14.2 t-80 -87.49 -31.0 20.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.115 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 136' ' ' ASP . 95.0 t -61.42 -47.43 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.231 -179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.42 ' CE1' ' OG ' ' A' ' 145' ' ' SER . 43.2 t-80 -65.47 -45.94 81.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -45.87 -38.44 7.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.305 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 mt -76.01 -40.95 52.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.466 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -57.77 -45.32 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.532 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.42 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 34.4 m -63.28 -16.4 60.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.4 mmm -96.17 -0.19 50.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.473 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.57 19.69 77.65 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.477 HG21 HH21 ' A' ' 50' ' ' ARG . 96.7 t -104.34 140.08 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 1.0 110.678 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.49 -53.24 2.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.16 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 40.2 t -130.86 116.63 18.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.061 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.4 t -130.8 142.98 50.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.963 0.411 . . . . 1.0 110.921 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.3 tp -101.56 132.7 47.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.076 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.6 t -110.87 129.26 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.901 0.381 . . . . 1.0 111.039 -178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 7.3 t -133.29 121.11 16.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.995 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.57 150.62 24.85 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.92 2.413 . . . . 1.0 112.81 -175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 49.2 mt -113.3 108.27 17.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.058 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.5 ptm -136.81 162.92 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 1.0 110.684 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.533 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 77.9 t60 -145.84 121.89 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 177.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 58.0 t60 79.05 -114.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.487 -177.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.3 tp60 -118.01 -3.01 11.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.467 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -107.29 159.6 16.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.604 -176.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.403 HD23 ' HE ' ' A' ' 92' ' ' ARG . 29.6 tp -107.28 129.5 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.461 177.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -100.05 -44.01 6.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.93 -176.22 30.73 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 -176.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -138.84 133.92 32.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 1.0 110.73 -179.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.699 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.7 tp -104.51 153.82 20.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.205 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.5 p -163.44 139.15 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.911 0.386 . . . . 1.0 111.024 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 25.9 p -117.15 135.62 53.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.2 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -112.52 135.41 53.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.98 0.419 . . . . 1.0 110.984 -177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -127.99 135.66 50.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.37 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.463 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -89.2 30.05 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.647 -177.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.463 ' OE2' ' O ' ' A' ' 171' ' ' ALA . 9.9 mp0 -154.29 135.03 8.45 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.509 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.5 111.87 3.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.795 2.33 . . . . 1.0 112.223 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -147.82 142.59 16.79 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.34 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -75.37 150.73 37.03 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.85 2.367 . . . . 1.0 112.146 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -104.69 155.09 19.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.442 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.9 t -90.8 150.5 21.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.617 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.95 -29.75 70.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.422 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -77.45 -47.24 20.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.455 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.9 -36.64 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.385 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.7 mt -58.54 -43.23 89.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.331 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -70.3 -53.71 15.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.195 -179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 60.1 t -43.61 -43.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.05 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 80.2 t -75.49 -50.07 25.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.178 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -49.35 -38.11 26.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.935 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.6 tp -72.42 -44.24 62.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.93 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 187' ' ' LEU . 2.5 tt -51.35 -45.88 62.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.849 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.78 99.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.761 178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -59.94 -35.96 76.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.737 178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -70.26 -29.09 65.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.889 178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.8 t -76.36 -48.95 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.064 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 8.6 p -54.02 -32.96 55.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.012 178.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.61 -33.05 59.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.077 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.02 -38.65 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.301 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.9 mt -55.22 -55.29 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.223 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.533 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -64.34 -48.23 76.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.273 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -61.0 -46.91 88.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.268 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -66.45 -33.69 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.336 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -51.48 -40.08 58.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.426 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 200' ' ' LEU . 36.4 mt -47.78 -30.9 4.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.445 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 78.9 p -51.2 -59.27 4.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 22.2 mt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.549 179.627 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.709 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.5 tp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.749 0.309 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.8 p-10 -53.29 -31.52 44.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.582 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 1.8 tp-100 -77.45 -47.14 20.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.719 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 38' ' ' THR . 22.1 mm -58.38 -49.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.605 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' O ' ' OG1' ' A' ' 38' ' ' THR . 81.4 mt -59.18 -33.77 71.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.654 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.664 ' O ' HG12 ' A' ' 39' ' ' VAL . 52.9 mtp85 -66.06 -40.74 91.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.769 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.02 -26.26 60.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.733 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.5 p -68.37 -33.87 75.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.666 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.744 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.9 p -71.27 -28.32 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.693 -178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -79.47 -43.52 23.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.658 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.69 -53.1 30.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.694 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 43' ' ' ARG . 7.1 p -51.93 -45.73 40.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.77 -179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.745 ' O ' ' N ' ' A' ' 47' ' ' GLY . 63.4 ttt180 -47.75 -43.69 27.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.744 179.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.62 -47.39 79.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.647 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -62.56 -42.1 99.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.517 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 48' ' ' THR . 5.1 mt -95.44 -11.29 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.47 -178.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.745 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 44.22 27.27 1.1 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 46' ' ' LEU . 2.9 p -75.98 142.89 41.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.827 0.346 . . . . 1.0 110.607 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 94.2 m-20 -50.87 -40.83 57.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.452 -177.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.753 HH22 ' HE ' ' A' ' 73' ' ' ARG . 5.7 mtt-85 -146.21 137.76 24.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.914 -176.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.568 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 7.8 p -145.91 132.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 1.0 109.962 175.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.514 ' HZ2' ' HG3' ' A' ' 67' ' ' GLU . 13.0 mttm -134.76 148.53 50.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.036 0.446 . . . . 1.0 111.163 -176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.81 HG22 ' CD1' ' A' ' 166' ' ' LEU . 22.2 t -102.11 139.25 23.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.707 -0.679 . . . . 1.0 109.861 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 165' ' ' LEU . 21.3 t80 -121.98 122.95 40.51 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.716 -0.393 . . . . 1.0 111.209 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -102.92 142.05 34.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.987 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.638 ' CZ ' ' NH1' ' A' ' 92' ' ' ARG . 16.1 m-85 -103.31 144.59 31.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 1.0 110.946 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.595 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.1 m-20 -102.05 148.95 36.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.41 178.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -47.29 -21.2 1.78 Allowed 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.883 2.389 . . . . 1.0 112.12 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -95.15 2.29 55.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.634 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.18 -15.88 62.12 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.595 ' O ' ' N ' ' A' ' 57' ' ' ASP . 73.4 m80 -75.48 147.29 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 1.0 110.615 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.24 158.04 23.18 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 -179.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.4 p -134.31 157.98 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 1.0 110.577 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 80' ' ' LEU . 10.0 p -92.86 109.65 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.636 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.27 -0.1 10.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.397 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.744 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.74 124.95 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.596 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 72.1 tt0 -152.96 138.01 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.461 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.86 138.25 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.642 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.7 ptt85 -127.46 144.3 51.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.643 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.6 148.11 16.42 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.92 30.62 0.38 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 43.09 16.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.578 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.753 ' HE ' HH22 ' A' ' 50' ' ' ARG . 18.3 ttp180 -52.23 -37.93 56.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.591 179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD12 ' HD2' ' A' ' 75' ' ' PRO . 10.4 tp -116.23 131.91 23.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.401 ' HD2' HD12 ' A' ' 74' ' ' LEU . 21.1 Cg_endo -59.54 145.64 97.45 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.779 2.32 . . . . 1.0 112.039 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.1 p -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.639 -178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.587 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 mt -96.67 6.05 49.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.519 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.535 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.8 tp -57.6 136.96 56.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.484 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.553 ' H ' HG13 ' A' ' 64' ' ' VAL . . . 88.65 -7.65 81.33 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.742 ' O ' HG12 ' A' ' 64' ' ' VAL . 81.9 mt -86.66 141.59 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 1.0 110.529 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.9 t -103.3 136.41 43.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.474 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.57 137.77 19.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.497 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -72.64 144.73 40.32 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.74 2.293 . . . . 1.0 112.145 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.33 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.813 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.92 -17.23 1.46 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -70.39 -9.15 55.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 1.0 110.521 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 mt -145.88 100.58 4.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.606 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 95.1 Cg_exo -41.74 -93.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.899 2.399 . . . . 1.0 112.074 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.468 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.8 tt0 -173.41 -38.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.556 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -52.96 -45.07 67.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.65 -179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.04 76.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.791 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.638 ' NH1' ' CZ ' ' A' ' 56' ' ' PHE . 33.7 mtp85 -65.89 -32.9 74.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.686 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -63.49 -39.19 93.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.573 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.556 HD13 HH12 ' A' ' 101' ' ' ARG . 12.7 mt -57.21 -36.09 70.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.636 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 70.2 m-85 -70.01 -28.88 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.711 179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.662 ' C ' HE22 ' A' ' 99' ' ' GLN . 64.0 mtp180 -84.44 -24.87 29.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.862 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.822 ' N ' HE22 ' A' ' 99' ' ' GLN . 66.7 mt -106.47 -45.11 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.15 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -94.89 -24.88 16.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.205 -173.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.918 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 41.92 55.41 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.829 -178.86 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.565 ' O ' ' NE ' ' A' ' 101' ' ' ARG . 7.7 p -167.97 127.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.357 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.58 ' CZ ' ' NH1' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -170.31 132.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.462 177.536 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -147.41 153.65 12.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.629 178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 mp -108.94 128.69 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 105' ' ' ASP . 4.5 p -84.45 173.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.47 -177.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.689 ' H ' HG22 ' A' ' 104' ' ' VAL . 66.0 t0 -51.15 117.6 2.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.547 -178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.531 HG23 ' CG1' ' A' ' 140' ' ' VAL . 13.3 p -50.63 -18.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.533 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -69.79 -38.62 76.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.425 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.54 -13.56 14.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.584 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 52.36 69.76 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.711 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 26.5 p -95.99 123.3 39.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.271 176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -111.59 142.11 44.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.991 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.588 ' O ' HG23 ' A' ' 113' ' ' ILE . 0.3 OUTLIER -126.84 160.44 30.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.855 178.076 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 112' ' ' SER . 17.9 pt -158.55 164.73 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.922 0.391 . . . . 1.0 111.074 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -77.69 174.32 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.457 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -132.14 73.94 77.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.531 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -49.1 153.24 4.31 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.77 2.313 . . . . 1.0 112.098 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 48.38 66.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.537 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.2 t -155.49 145.48 21.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -55.17 -28.07 50.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.512 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 99.36 0.28 56.93 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 120' ' ' GLY . 6.1 tp 47.02 100.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 1.0 110.581 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -55.21 143.57 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.523 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.482 ' C ' ' N ' ' A' ' 125' ' ' VAL . . . -79.25 -10.5 59.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.567 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -46.05 -15.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.528 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.482 ' N ' ' C ' ' A' ' 123' ' ' ALA . 1.5 m -103.79 155.86 36.41 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -44.55 168.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.764 2.309 . . . . 1.0 112.156 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.645 HD12 ' H ' ' A' ' 127' ' ' LEU . 9.0 mp -42.72 -51.44 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.55 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 65.16 36.92 93.48 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -145.2 157.48 53.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.664 ' C ' ' H ' ' A' ' 132' ' ' GLN . 13.6 Cg_endo -53.88 169.7 0.57 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.012 2.475 . . . . 1.0 112.167 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.409 ' O ' ' NE2' ' A' ' 132' ' ' GLN . 8.1 mp -62.12 13.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.548 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.664 ' H ' ' C ' ' A' ' 130' ' ' PRO . 60.7 mm-40 -139.49 160.95 38.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.48 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.58 ' NH1' ' CZ ' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -130.82 83.89 60.1 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.549 -179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.9 142.08 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.923 2.415 . . . . 1.0 112.279 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 135' ' ' VAL . 9.9 m -120.37 131.97 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.437 177.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.737 ' OD2' HMD2 ' A' ' 301' ' ' CYC . 30.3 p-10 -39.95 137.76 1.14 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.745 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -42.42 -33.56 2.7 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.98 2.454 . . . . 1.0 111.727 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.794 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.3 OUTLIER -60.99 -35.19 76.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.658 -178.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.473 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 26.4 t-80 -84.05 -30.09 26.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.153 177.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.531 ' CG1' HG23 ' A' ' 106' ' ' VAL . 46.6 t -57.78 -55.02 24.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.217 179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -60.55 -44.0 96.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.358 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -44.97 -42.81 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.283 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 87.4 mt -75.17 -42.57 55.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.386 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -57.16 -44.64 83.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.496 177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.2 p -64.61 -16.66 63.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.535 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 38.9 mmm -96.68 -1.85 45.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.498 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.34 21.26 70.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 39.1 t -110.56 142.82 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.705 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -116.72 -47.39 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.205 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 36.9 p -131.75 117.47 18.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.083 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 36.2 p -131.41 144.38 51.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.007 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -102.95 134.44 46.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.01 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 19.8 t -110.92 128.85 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.003 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 2.7 t -132.3 117.4 15.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.967 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.02 150.93 30.25 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.864 2.376 . . . . 1.0 112.796 -175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -113.78 108.48 17.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.145 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.3 ptm -136.56 157.2 47.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 1.0 110.643 -175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.625 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 43.1 t-80 -139.02 121.79 16.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.487 177.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.496 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.1 t60 78.11 -114.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.559 -177.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -117.49 -2.41 11.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.498 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -107.89 158.97 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.607 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 30.2 tp -106.41 130.04 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.426 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -100.26 -44.59 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.688 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.491 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -158.77 -176.36 30.74 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 -176.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -139.01 134.6 33.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.863 0.363 . . . . 1.0 110.671 -179.32 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.81 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.6 tp -104.18 153.69 20.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.206 178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 51' ' ' VAL . 13.1 p -161.6 137.55 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 1.0 111.049 -179.142 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.3 p -115.98 138.94 50.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.129 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -108.88 130.27 55.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.006 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.463 ' CE1' ' HE ' ' A' ' 174' ' ' ARG . 0.5 OUTLIER -124.9 127.72 47.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.388 177.557 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -90.22 29.37 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.687 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 27.9 mt-10 -158.58 150.33 17.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.504 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -68.34 84.28 0.47 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.767 2.311 . . . . 1.0 112.214 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.463 ' HE ' ' CE1' ' A' ' 170' ' ' HIS . 57.9 ttm-85 -118.72 91.58 42.59 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.965 0.412 . . . . 1.0 110.394 -179.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.34 162.21 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 1.0 112.218 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -105.66 142.71 34.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.452 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 30.4 t -89.53 153.41 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -57.35 -34.79 69.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.442 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -71.33 -54.95 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.459 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.71 -31.74 66.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.413 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 181' ' ' LEU . 1.4 tt -52.01 -56.89 11.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.286 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -62.13 -48.56 79.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.158 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 92.2 t -44.51 -50.63 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.067 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.85 -52.16 18.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.091 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -50.42 -38.38 42.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.0 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 6.2 tt -74.0 -46.16 45.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.96 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 60.8 tp -51.45 -45.02 62.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.778 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -60.06 -47.69 84.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.762 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -59.34 -37.65 78.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.694 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -68.31 -31.94 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.867 178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.53 -49.56 26.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.035 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 11.0 p -52.95 -31.35 39.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.938 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 29.6 mt -68.63 -33.93 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.124 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.57 83.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.218 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.85 -48.49 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.205 178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -65.55 -48.86 70.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.26 -179.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.32 -46.2 91.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.231 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.7 74.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.29 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -53.92 -43.93 70.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.398 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 45.4 mt -48.73 -35.29 13.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.418 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 14.6 m -53.18 -59.82 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.496 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.534 179.59 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.794 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -48.45 -34.42 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.665 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 33' ' ' GLN . 26.3 mp0 -76.55 -49.78 15.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.695 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.0 mt -59.67 -42.74 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.63 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 38' ' ' THR . 28.3 mt -61.36 -31.65 71.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.581 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.772 ' O ' HG12 ' A' ' 39' ' ' VAL . 67.8 ttp85 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.761 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.54 -31.65 60.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.692 -179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 35' ' ' LEU . 1.5 t -72.12 -32.68 67.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.772 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.4 p -70.01 -22.93 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.748 -179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -74.13 -42.64 59.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.757 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -69.87 -39.86 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.718 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 38' ' ' THR . 58.1 t -53.7 -54.31 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.732 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.715 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.4 ttt-85 -49.6 -42.65 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.749 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.24 78.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.651 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.01 -41.34 97.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.54 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 mt -94.79 -11.76 28.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.45 -178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.715 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 47.05 25.6 2.6 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 169' ' ' HIS . 12.3 t -76.09 145.42 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 1.0 110.573 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -41.27 -49.01 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.491 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.488 HH22 ' CE ' ' A' ' 146' ' ' MET . 39.7 ptt180 -151.68 147.0 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.909 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 51' ' ' VAL . 7.0 p -144.94 134.15 18.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.942 176.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.65 ' NZ ' HBB2 ' A' ' 301' ' ' CYC . 23.2 pttt -137.01 151.62 49.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.058 0.456 . . . . 1.0 111.172 -175.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.574 HG22 ' CD1' ' A' ' 166' ' ' LEU . 59.5 t -100.24 138.3 24.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.867 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 165' ' ' LEU . 15.9 t80 -121.91 121.9 38.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.971 0.415 . . . . 1.0 111.186 -177.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -102.66 142.8 33.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.047 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -103.06 140.69 36.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 1.0 110.897 -179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.582 ' N ' ' O ' ' A' ' 61' ' ' HIS . 5.1 m-20 -100.26 151.1 37.44 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.495 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -42.14 -44.11 7.49 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.757 2.304 . . . . 1.0 112.11 -179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -73.2 -9.32 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.558 -178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.81 -8.87 43.39 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.582 ' O ' ' N ' ' A' ' 57' ' ' ASP . 18.1 m80 -74.46 145.99 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 1.0 110.632 179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.442 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -131.28 155.03 21.12 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 HG22 ' A' ' 81' ' ' THR . 7.9 p -134.63 157.49 46.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 t -93.02 109.12 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.672 177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.5 t -105.09 -2.25 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.41 -178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.605 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.68 130.4 8.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.571 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 tm-20 -164.14 141.18 6.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.18 148.15 48.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.646 179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -135.77 146.17 47.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.626 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.87 149.05 16.72 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.745 -0.942 . . . . 1.0 110.745 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.562 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 42.58 31.57 1.09 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.763 -0.935 . . . . 1.0 110.763 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 42.29 17.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 1.0 110.661 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 71' ' ' GLY . 41.1 ttm180 -57.87 -41.88 83.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.1 mt -116.66 117.91 37.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.593 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -49.36 168.15 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.774 2.316 . . . . 1.0 112.077 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.0 t -98.94 123.32 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.643 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HA ' HD12 ' A' ' 80' ' ' LEU . 18.7 mt -94.16 10.38 34.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.465 178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.2 tp -57.46 133.78 55.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.467 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.66 -12.01 66.74 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 176.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 77' ' ' LEU . 72.9 mt -82.52 143.33 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 1.0 110.5 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.412 HG22 HG22 ' A' ' 63' ' ' THR . 68.1 p -111.82 148.55 33.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.459 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 20.9 m-85 -118.27 148.13 43.14 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.5 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.448 ' O ' ' OD1' ' A' ' 86' ' ' ASP . 40.6 Cg_endo -74.22 138.65 25.41 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.689 2.259 . . . . 1.0 112.124 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.756 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.73 -17.45 2.13 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 83' ' ' PRO . 24.7 p-10 -73.35 -9.63 58.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 1.0 110.556 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.52 ' O ' ' O ' ' A' ' 88' ' ' PRO . 96.7 mt -134.82 94.57 16.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.581 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.52 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.1 Cg_exo -39.88 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.852 2.368 . . . . 1.0 112.122 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.435 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.3 tt0 -164.99 -50.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.631 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.5 pt-20 -46.82 -43.2 18.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.694 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -72.22 -41.76 66.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.774 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -59.85 -32.66 70.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.695 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -64.27 -35.51 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.94 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.584 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.687 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 67.9 m-85 -69.02 -35.93 77.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.715 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.603 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 42.1 ttp180 -87.48 -19.38 28.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.591 ' N ' HE22 ' A' ' 99' ' ' GLN . 58.2 mt -96.13 -50.22 4.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.206 -176.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -110.11 -14.7 14.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.183 -172.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.813 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.63 56.56 5.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.81 -179.262 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 99' ' ' GLN . 9.1 m -159.75 124.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.355 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.632 HH22 HBD1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -171.62 127.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 177.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -143.47 153.78 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.636 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.29 129.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.618 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.703 HG12 ' H ' ' A' ' 105' ' ' ASP . 16.7 t -86.39 173.61 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.393 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.703 ' H ' HG12 ' A' ' 104' ' ' VAL . 56.4 m-20 -48.99 117.54 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.532 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 106' ' ' VAL . 34.9 t -51.41 -12.72 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.617 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 105' ' ' ASP . 43.1 tp10 -76.75 -34.67 58.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.494 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.27 -13.83 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.527 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.704 ' NE2' HH21 ' A' ' 111' ' ' ARG . 50.4 tt0 52.64 69.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.1 p -89.51 123.73 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.248 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.704 HH21 ' NE2' ' A' ' 109' ' ' GLN . 53.7 mtt85 -109.04 134.39 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.96 0.41 . . . . 1.0 110.929 -177.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.408 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -128.81 108.52 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.913 178.263 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.682 HG22 ' N ' ' A' ' 114' ' ' SER . 71.5 mt -112.71 169.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.631 -0.428 . . . . 1.0 110.982 -179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.682 ' N ' HG22 ' A' ' 113' ' ' ILE . 54.6 p -74.32 166.92 22.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.379 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -174.77 96.95 0.29 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.608 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -82.12 67.11 8.23 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.831 2.354 . . . . 1.0 112.081 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 119' ' ' TRP . 85.2 tt0 -148.56 130.42 15.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.5 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 119' ' ' TRP . 32.3 t 43.97 -90.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.552 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 117' ' ' GLU . 69.7 t-105 45.53 98.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -80.4 -179.54 52.78 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.432 ' CG ' ' H ' ' A' ' 122' ' ' SER . 5.8 tp -158.37 -127.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.574 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.432 ' H ' ' CG ' ' A' ' 121' ' ' LEU . 7.6 t 60.42 136.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.539 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.55 -5.0 40.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.541 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -67.25 -21.37 65.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.5 t -115.1 96.22 44.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.621 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 128' ' ' GLY . 42.1 Cg_exo -56.9 160.4 12.43 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.764 2.309 . . . . 1.0 112.109 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.603 HD12 ' H ' ' A' ' 127' ' ' LEU . 9.6 mp 40.95 -98.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.501 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 126' ' ' PRO . . . 93.46 -2.92 71.32 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 -178.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.521 ' CD ' HH11 ' A' ' 133' ' ' ARG . 0.2 OUTLIER -138.27 170.93 9.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 1.0 110.73 -179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.633 ' C ' ' H ' ' A' ' 132' ' ' GLN . 75.1 Cg_exo -48.22 168.42 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.962 2.441 . . . . 1.0 112.273 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.6 mt -64.4 15.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.518 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.633 ' H ' ' C ' ' A' ' 130' ' ' PRO . 47.8 mm-40 -139.95 157.41 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.495 -178.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.521 HH11 ' CD ' ' A' ' 129' ' ' GLU . 15.7 mmm180 -127.86 113.07 20.48 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.654 179.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.15 141.35 16.3 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 122.896 2.398 . . . . 1.0 112.278 -179.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.65 135.57 62.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.538 ' HB2' HMD2 ' A' ' 301' ' ' CYC . 1.4 m-20 -40.81 140.39 1.07 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.797 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -44.15 -18.62 0.18 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.922 2.415 . . . . 1.0 111.767 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.946 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.7 OUTLIER -63.9 -44.13 93.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.626 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -79.74 -31.13 41.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.089 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.41 ' CG1' HG13 ' A' ' 106' ' ' VAL . 40.5 t -56.99 -63.42 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.162 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -58.99 -41.92 88.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -46.13 -41.67 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.287 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.77 -44.8 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.426 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -58.3 -44.31 88.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.527 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 92.8 p -65.84 -17.79 64.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.586 177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.488 ' CE ' HH22 ' A' ' 50' ' ' ARG . 16.5 mmm -95.49 -1.08 51.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.462 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.46 20.26 72.2 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.401 HG21 HH21 ' A' ' 50' ' ' ARG . 41.2 t -109.67 143.22 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.862 0.363 . . . . 1.0 110.631 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -114.5 -47.09 2.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.168 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.5 p -131.08 120.2 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.081 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.0 p -131.69 143.32 50.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 1.0 111.048 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.49 136.47 43.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.08 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 3.5 t -113.3 127.3 70.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 1.0 111.039 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.2 t -132.68 120.79 16.82 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.999 178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -78.62 150.81 24.83 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.965 2.443 . . . . 1.0 112.75 -175.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 50.0 mt -113.95 110.0 19.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.13 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 14.5 ptm -135.08 160.87 36.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 1.0 110.713 -175.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.6 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 40.1 t-80 -131.97 122.51 25.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.485 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.424 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 0.5 OUTLIER 62.42 -104.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.533 -178.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 13.9 pt20 -116.8 -6.86 11.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.491 -178.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -101.5 150.46 23.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.588 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 26.8 tp -103.89 125.23 50.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.45 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 16.7 m95 -99.29 -42.38 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.635 -176.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -161.3 -177.27 34.25 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.151 -0.78 . . . . 1.0 111.151 -176.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 54' ' ' TYR . 55.3 mt -135.99 137.81 41.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.662 -179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.574 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.8 tp -105.08 151.18 24.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.195 178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.5 p -158.81 135.16 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.935 0.398 . . . . 1.0 111.05 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 11.0 p -117.47 135.9 53.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.172 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.509 ' O ' ' OG1' ' A' ' 48' ' ' THR . 74.3 m-70 -116.51 134.98 54.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.022 -178.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' A' ' 172' ' ' GLU . 3.8 t60 -130.85 136.81 48.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.428 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.455 ' O ' ' OE2' ' A' ' 172' ' ' GLU . . . -84.36 36.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.648 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' A' ' 170' ' ' HIS . 9.8 mp0 -158.28 152.78 20.5 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.486 -178.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.539 ' O ' ' O ' ' A' ' 174' ' ' ARG . 39.8 Cg_endo -67.66 -97.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.859 2.373 . . . . 1.0 112.161 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.539 ' O ' ' O ' ' A' ' 173' ' ' PRO . 9.5 tpt180 55.25 122.8 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.367 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.07 166.88 25.95 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.875 2.384 . . . . 1.0 112.221 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -107.67 147.84 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.5 m -90.41 152.78 20.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.584 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.06 -29.81 70.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.377 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -79.98 -55.13 5.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.436 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.37 -37.35 80.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.445 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.83 -45.74 82.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.232 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -70.62 -50.28 38.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.275 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 53.1 t -44.19 -44.99 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.142 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 92.2 t -74.34 -49.94 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.204 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.27 -33.85 9.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.96 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -44.31 63.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.889 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.89 -44.4 59.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 1.0 109.83 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.24 -42.14 99.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.975 -0.557 . . . . 1.0 109.783 178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -61.53 -36.94 81.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.786 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -68.54 -29.3 67.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.879 -0.6 . . . . 1.0 109.854 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.28 -48.14 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.041 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 p -54.7 -32.29 59.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.97 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 37.2 mt -69.03 -33.58 59.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.1 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.29 84.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.299 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 10.7 mt -55.86 -49.37 75.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.224 178.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.6 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -66.62 -49.73 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.23 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.72 -47.5 86.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.21 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.83 76.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.306 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -52.29 -42.16 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.457 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.0 tp -48.47 -36.1 14.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.457 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.4 m -50.18 -60.21 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.519 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.064 -0.97 . . . . 1.0 110.549 179.721 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.946 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.854 0.359 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -52.72 -32.88 45.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.13 -50.81 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.66 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' THR . 96.3 mt -56.66 -49.38 78.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.631 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.504 ' O ' ' OG1' ' A' ' 38' ' ' THR . 54.9 mt -56.14 -31.83 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.595 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.614 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.4 ttt180 -63.92 -41.01 97.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.833 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -74.89 -26.77 59.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.748 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 42' ' ' VAL . 74.8 p -67.99 -36.27 79.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.664 -178.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.647 ' HB ' ' HB1' ' A' ' 66' ' ' ALA . 1.8 p -70.71 -24.87 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.698 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 95.8 mt-10 -74.04 -35.01 64.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.731 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -78.49 -37.82 42.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.674 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 38' ' ' THR . 74.4 t -58.98 -56.52 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.753 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.775 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ptm180 -51.61 -42.92 62.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.696 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' CG ' ' A' ' 43' ' ' ARG . . . -57.63 -49.94 74.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.644 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.539 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.595 ' CB ' HG23 ' A' ' 48' ' ' THR . 16.9 mt -93.75 -13.75 27.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.576 -178.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.775 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.78 25.41 15.36 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.595 HG23 ' CB ' ' A' ' 46' ' ' LEU . 68.6 p -74.79 142.34 44.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 1.0 110.603 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.1 m-20 -43.35 -47.98 6.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.52 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.557 HH22 ' CE ' ' A' ' 146' ' ' MET . 30.8 ptt180 -150.89 145.77 25.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.012 0.434 . . . . 1.0 110.871 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 8.0 p -150.57 137.54 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.917 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.626 ' CE ' HBB2 ' A' ' 301' ' ' CYC . 12.2 pttm -138.93 155.21 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 1.0 111.162 -177.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG22 ' CD1' ' A' ' 166' ' ' LEU . 57.4 t -100.33 138.4 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.822 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CE2' ' HA3' ' A' ' 62' ' ' GLY . 7.5 t80 -124.16 126.64 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 1.0 111.229 -177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -107.14 146.18 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.99 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.26 140.86 36.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 1.0 110.867 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' HIS . 4.2 m-20 -100.42 152.17 37.76 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.503 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_exo -40.82 -46.48 4.85 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.841 2.361 . . . . 1.0 112.088 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -71.64 -13.14 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 -178.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . 108.41 -6.25 33.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 57' ' ' ASP . 56.5 m80 -74.33 144.65 44.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 1.0 110.512 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' HA3' ' CE2' ' A' ' 54' ' ' TYR . . . -129.5 152.88 19.69 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -178.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.2 p -133.64 156.71 47.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.822 0.344 . . . . 1.0 110.569 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -94.89 111.06 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.658 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.65 -0.46 9.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.443 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.647 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.76 127.99 6.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.556 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.553 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 75.9 tt0 -162.49 141.67 9.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.501 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.74 142.89 46.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.569 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' O ' ' NH2' ' A' ' 43' ' ' ARG . 66.2 mtp180 -107.14 134.53 50.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.59 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -87.03 118.0 4.83 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 178.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 46.72 43.92 16.63 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 40.14 36.04 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 1.0 110.609 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -75.8 -49.09 19.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.554 -178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' O ' ' NE ' ' A' ' 69' ' ' ARG . 35.3 mt -120.91 135.45 24.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.614 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -51.46 167.3 0.39 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.755 2.303 . . . . 1.0 112.051 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -107.96 126.81 53.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.671 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.553 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 12.7 mt -84.3 21.84 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 tp -61.7 130.09 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.73 -8.94 75.92 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.793 -0.923 . . . . 1.0 110.793 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 77' ' ' LEU . 61.4 mt -84.99 143.37 28.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.816 0.341 . . . . 1.0 110.544 178.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.4 p -111.5 149.91 30.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.447 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 21.3 m-85 -116.51 146.34 37.27 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.468 179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -70.23 146.57 57.65 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.743 2.296 . . . . 1.0 112.15 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 86' ' ' ASP . . . -70.24 -40.35 74.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.764 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.47 -15.06 1.09 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 84' ' ' ALA . 54.8 t0 -71.87 -27.28 62.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 1.0 110.508 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.56 ' O ' ' O ' ' A' ' 88' ' ' PRO . 31.1 mm -111.82 102.63 53.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.586 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.8 Cg_exo -45.61 -117.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.863 2.376 . . . . 1.0 112.126 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -159.24 -54.77 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.595 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -46.33 -42.94 15.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.706 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -73.03 -46.5 51.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -54.13 -33.28 57.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.59 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.73 -33.61 76.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.613 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.465 HD13 HH22 ' A' ' 133' ' ' ARG . 39.0 mt -63.56 -33.39 75.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.541 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.561 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 16.6 m-85 -70.81 -35.85 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.604 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 38.5 mtm180 -86.39 -18.91 30.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.81 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.661 ' N ' HE22 ' A' ' 99' ' ' GLN . 82.4 mt -100.4 -48.7 4.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.163 -177.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -106.56 -16.12 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.146 -173.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.87 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 43.33 56.82 4.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 1.0 110.806 -179.217 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 100' ' ' VAL . 12.2 p -157.6 123.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.453 -178.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.689 HH11 ' HE ' ' A' ' 133' ' ' ARG . 15.3 tpt180 -165.27 127.16 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.454 177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 84.2 t -145.73 150.71 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.63 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.532 HD12 ' OG ' ' A' ' 151' ' ' SER . 27.7 mt -109.59 127.41 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.622 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.688 ' CG1' HE21 ' A' ' 132' ' ' GLN . 0.3 OUTLIER -84.64 172.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.453 -177.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -52.87 118.24 3.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.42 -19.51 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.635 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -66.18 -42.57 88.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.413 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -61.71 -0.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.534 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.9 pt20 39.84 67.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.754 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 m -92.43 123.83 36.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.21 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -112.19 139.95 47.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.929 0.395 . . . . 1.0 110.993 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.576 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 0.9 OUTLIER -119.39 157.04 29.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.857 177.425 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' SER . 25.8 pt -156.3 162.79 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.657 -0.417 . . . . 1.0 111.023 -178.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.7 t -78.6 171.33 15.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.448 178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -148.82 154.04 39.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.642 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.26 -20.11 62.27 Favored 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.793 2.328 . . . . 1.0 112.048 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -148.26 130.32 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.511 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.2 m -115.16 148.26 39.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.55 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 6.7 m-90 -93.11 137.86 32.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.561 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . -178.26 -103.59 0.17 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' SER . 23.0 mt 45.03 96.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.368 . . . . 1.0 110.522 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.478 ' C ' ' H ' ' A' ' 124' ' ' ARG . 0.8 OUTLIER 76.49 103.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.854 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.88 10.85 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.581 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 122' ' ' SER . 72.5 mtm180 -52.45 -13.37 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.613 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.76 121.33 46.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.576 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.56 149.14 23.74 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.764 2.309 . . . . 1.0 112.129 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 30.8 tp 59.84 -102.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 94.13 -28.28 11.09 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.831 -0.907 . . . . 1.0 110.831 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.478 ' CD ' ' NH1' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -118.54 170.27 6.7 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.931 0.396 . . . . 1.0 110.634 -179.295 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.552 ' C ' ' H ' ' A' ' 132' ' ' GLN . 66.2 Cg_exo -49.76 168.49 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.926 2.418 . . . . 1.0 112.287 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.43 ' O ' ' CD ' ' A' ' 132' ' ' GLN . 3.8 tp -67.46 12.04 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.495 -178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.688 HE21 ' CG1' ' A' ' 104' ' ' VAL . 7.4 mm100 -139.1 158.1 44.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.552 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.689 ' HE ' HH11 ' A' ' 101' ' ' ARG . 9.0 mmm180 -126.0 80.21 68.02 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.562 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -48.79 142.04 19.86 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.943 2.429 . . . . 1.0 112.282 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -121.93 132.1 71.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.378 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.68 ' CG ' HMD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -41.89 151.86 0.32 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.742 -179.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -47.72 -12.05 0.12 Allowed 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.941 2.427 . . . . 1.0 111.872 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.766 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -60.47 -46.8 88.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.6 178.481 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.406 ' HE2' ' C4A' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -75.86 -24.25 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.185 179.642 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 45.0 t -58.67 -56.31 17.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.254 178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -70.21 -50.13 43.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.355 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -47.75 -47.17 30.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.273 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.478 HD11 HD13 ' A' ' 103' ' ' ILE . 44.4 mt -71.91 -47.85 49.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.487 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -57.04 -43.17 81.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.566 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 97.6 p -66.88 -20.09 65.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.591 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.557 ' CE ' HH22 ' A' ' 50' ' ' ARG . 17.8 mmm -93.58 -3.24 53.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.495 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 78.81 21.47 68.53 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 22.1 t -110.19 142.64 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 1.0 110.674 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.37 -45.96 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.226 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.4 p -132.78 118.69 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.063 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.532 ' OG ' HD12 ' A' ' 103' ' ' ILE . 22.9 p -129.1 142.78 50.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.968 0.413 . . . . 1.0 110.948 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 1.7 tp -101.7 133.15 46.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.069 177.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.15 127.66 70.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.378 -0.373 . . . . 1.0 111.086 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.7 t -131.86 117.57 16.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.019 178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.67 152.41 33.16 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.945 2.43 . . . . 1.0 112.799 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 54.8 mt -115.45 111.96 21.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.155 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.0 ptm -135.17 158.53 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 1.0 110.682 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.639 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 83.8 t60 -132.31 127.97 36.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.435 177.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.631 ' CD2' ' NE2' ' A' ' 158' ' ' HIS . 4.8 m-70 59.44 -103.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 41.2 tp60 -119.52 -6.61 10.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.48 -177.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.422 ' OE2' ' NE1' ' A' ' 163' ' ' TRP . 11.9 pt-20 -104.58 157.04 17.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.644 -176.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 16.4 tp -107.2 128.26 54.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.469 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.422 ' NE1' ' OE2' ' A' ' 161' ' ' GLU . 13.7 m95 -102.06 -43.72 5.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.71 -177.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -160.55 -176.93 33.19 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -176.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.7 mp -140.03 142.23 36.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.879 0.371 . . . . 1.0 110.683 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.512 ' CD1' HG22 ' A' ' 53' ' ' VAL . 4.9 tp -105.28 152.41 22.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.142 178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.4 ' O ' HG23 ' A' ' 51' ' ' VAL . 15.0 p -158.53 134.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.948 0.404 . . . . 1.0 111.046 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 59.3 p -117.54 141.83 47.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.124 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.424 ' CE1' ' NZ ' ' A' ' 52' ' ' LYS . 18.2 m80 -116.25 133.44 56.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.953 0.406 . . . . 1.0 111.052 -177.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.714 ' ND1' ' N ' ' A' ' 170' ' ' HIS . 0.0 OUTLIER -124.63 129.59 50.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.373 177.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 172' ' ' GLU . . . -87.85 25.79 1.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.585 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 171' ' ' ALA . 45.6 mt-10 -159.69 150.64 15.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.528 -178.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.05 128.83 19.35 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.817 2.345 . . . . 1.0 112.282 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -165.74 91.96 0.86 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.374 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.07 163.63 3.13 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.901 2.401 . . . . 1.0 112.17 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -111.6 146.11 37.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.447 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 181' ' ' LEU . 89.2 p -106.16 158.57 16.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.642 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -54.75 -42.74 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.428 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 46.5 mp0 -60.42 -43.43 96.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 184' ' ' VAL . 79.0 mm-40 -83.76 -11.42 57.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.362 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 177' ' ' SER . 20.6 tp -72.56 -48.32 41.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.305 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.448 ' CG ' ' N ' ' A' ' 183' ' ' VAL . 13.4 pt20 -69.9 -43.43 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.25 -179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.448 ' N ' ' CG ' ' A' ' 182' ' ' GLN . 53.6 t -45.87 -54.54 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.107 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.652 HG13 ' N ' ' A' ' 185' ' ' GLN . 7.2 p -77.41 -52.52 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.205 -178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.652 ' N ' HG13 ' A' ' 184' ' ' VAL . 54.5 tp60 -51.14 -40.55 58.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.943 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 182' ' ' GLN . 28.6 tp -73.04 -45.52 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.938 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.3 -43.66 53.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.071 -0.513 . . . . 1.0 109.792 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.07 97.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.992 -0.549 . . . . 1.0 109.724 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -59.88 -36.44 76.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 1.0 109.794 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -69.32 -29.3 67.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.877 -0.602 . . . . 1.0 109.899 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 50.6 t -77.16 -48.15 25.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.061 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.5 m -53.71 -33.51 55.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.043 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 40.8 mt -68.68 -33.97 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.57 85.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.237 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.4 mt -56.42 -48.64 79.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.227 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.639 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -67.2 -49.86 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.26 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -60.54 -46.8 88.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.251 -178.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.423 ' O ' ' OG ' ' A' ' 201' ' ' SER . . . -66.1 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.268 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -52.93 -42.41 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.474 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.7 mt -47.79 -27.75 2.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.447 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 198' ' ' ALA . 79.5 p -49.73 -59.91 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.1 mp . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.904 -1.046 . . . . 1.0 110.52 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.766 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -53.94 -33.15 55.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -77.31 -47.85 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.619 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 95.1 mt -62.06 -43.63 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.568 ' O ' HG22 ' A' ' 38' ' ' THR . 79.9 mt -61.83 -32.25 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.658 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.545 ' O ' HG12 ' A' ' 39' ' ' VAL . 60.0 ttp180 -75.14 -41.55 58.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.759 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.1 -29.95 60.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.721 -178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.4 t -71.0 -35.04 71.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.708 -177.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 36' ' ' ARG . 1.0 OUTLIER -71.44 -23.44 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.71 -178.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.13 -44.2 60.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.751 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.72 -36.79 70.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.665 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 38' ' ' THR . 53.4 t -57.93 -53.54 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.733 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.723 ' O ' ' N ' ' A' ' 47' ' ' GLY . 22.0 ttp-105 -52.76 -43.55 65.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.733 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.37 -46.02 76.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.646 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -65.16 -38.13 89.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.591 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.69 -15.29 24.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.582 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.723 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.06 24.61 9.03 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 169' ' ' HIS . 96.2 m -76.09 144.95 40.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 1.0 110.629 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' THR . 91.6 m-20 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.522 -177.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.656 HH21 ' CG2' ' A' ' 148' ' ' VAL . 36.7 ptt180 -150.35 146.91 27.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.895 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.8 t -141.58 133.73 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.895 -0.593 . . . . 1.0 109.924 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.673 ' NZ ' HD12 ' A' ' 77' ' ' LEU . 41.5 mttt -133.77 145.86 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 1.0 111.137 -175.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 166' ' ' LEU . 62.1 t -98.27 138.22 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 1.0 109.857 176.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.548 ' O ' ' N ' ' A' ' 165' ' ' LEU . 17.5 t80 -121.15 119.52 32.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.955 0.407 . . . . 1.0 111.204 -177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -93.32 133.87 36.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.991 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -99.64 132.16 45.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.867 0.365 . . . . 1.0 110.928 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 61' ' ' HIS . 1.0 OUTLIER -101.18 150.9 37.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.465 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -49.48 -32.38 26.83 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.891 2.394 . . . . 1.0 112.127 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HB2' ' ND1' ' A' ' 61' ' ' HIS . 98.0 mt-10 -79.05 -7.19 57.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.551 -177.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.68 -16.3 54.86 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.552 ' NE2' ' OD2' ' A' ' 57' ' ' ASP . 22.5 p-80 -80.1 152.77 29.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 1.0 110.637 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.457 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.33 163.82 26.0 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.4 p -136.1 159.93 40.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 1.0 110.601 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.5 t -92.42 108.55 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.631 178.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' O ' HG12 ' A' ' 65' ' ' VAL . 19.4 t -105.75 -0.97 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.453 -179.089 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -157.51 130.75 7.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.552 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 67' ' ' GLU . 4.4 tm-20 -162.5 139.99 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.466 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -135.84 147.54 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.618 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.536 ' NE ' ' OE1' ' A' ' 72' ' ' GLU . 36.8 ptt180 -135.81 146.01 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.546 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.6 149.57 16.73 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' O ' ' N ' ' A' ' 73' ' ' ARG . . . 40.55 31.74 0.42 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' OE1' ' NE ' ' A' ' 69' ' ' ARG . 79.8 mm-40 42.45 18.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 71' ' ' GLY . 40.0 ttm180 -58.24 -40.17 81.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.61 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 mt -118.19 120.1 32.66 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.612 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.29 167.8 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.728 2.286 . . . . 1.0 112.013 -179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 p -99.82 130.02 45.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.645 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.673 HD12 ' NZ ' ' A' ' 52' ' ' LYS . 18.4 mt -102.04 14.71 31.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.445 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.14 135.0 56.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.522 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.13 -9.17 73.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 77' ' ' LEU . 73.5 mt -83.98 144.98 28.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.781 0.324 . . . . 1.0 110.546 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.9 m -105.83 134.65 48.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.488 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -105.53 113.9 63.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.91 0.386 . . . . 1.0 110.456 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -46.03 145.16 5.44 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.649 2.233 . . . . 1.0 112.185 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.31 -40.24 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.825 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.79 -20.6 8.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -69.72 -8.09 44.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.504 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.592 ' O ' ' O ' ' A' ' 88' ' ' PRO . 3.1 mt -134.99 101.4 11.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.631 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.592 ' O ' ' O ' ' A' ' 87' ' ' ILE . 82.4 Cg_exo -43.58 -117.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.889 2.392 . . . . 1.0 112.12 -179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -160.69 -41.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.535 -179.64 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.66 -45.06 77.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.691 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' HD1' ' A' ' 95' ' ' PHE . . . -68.82 -36.35 78.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.795 -178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -63.87 -33.94 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.724 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -63.73 -38.4 90.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.7 -35.77 73.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.55 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 86.8 m-85 -68.74 -34.78 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.583 ' C ' ' NE2' ' A' ' 99' ' ' GLN . 84.2 mtm-85 -88.64 -20.21 25.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.848 -178.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.524 ' N ' HE22 ' A' ' 99' ' ' GLN . 75.6 mt -95.46 -51.29 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.157 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.2 -12.33 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.147 -173.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.791 ' H ' HE21 ' A' ' 99' ' ' GLN . 0.0 OUTLIER 45.54 51.1 10.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.88 -178.664 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 22.0 t -152.94 119.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.458 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.448 ' CB ' ' CZ ' ' A' ' 95' ' ' PHE . 0.9 OUTLIER -167.46 126.04 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.48 178.097 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.9 t -145.07 152.3 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.673 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.543 HD12 ' OG ' ' A' ' 151' ' ' SER . 63.7 mt -106.67 126.64 62.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.56 -179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 105' ' ' ASP . 10.2 t -84.38 171.13 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.46 -177.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.633 ' H ' HG12 ' A' ' 104' ' ' VAL . 32.5 m-20 -52.24 116.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.615 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.03 -16.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.543 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 109' ' ' GLN . 85.1 tt0 -67.36 -42.59 83.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.399 179.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.523 ' O ' ' HG3' ' A' ' 109' ' ' GLN . . . -63.1 -1.87 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.512 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 108' ' ' ALA . 15.7 pt20 40.16 66.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.722 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.45 124.71 35.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.245 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -111.54 141.5 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.961 0.41 . . . . 1.0 111.077 -176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.439 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 1.1 t -130.44 110.2 11.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.949 177.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.71 HG22 ' N ' ' A' ' 114' ' ' SER . 68.0 mt -112.06 170.68 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.71 -0.396 . . . . 1.0 111.023 -179.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.71 ' N ' HG22 ' A' ' 113' ' ' ILE . 70.2 m -76.12 172.35 12.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.396 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 118' ' ' SER . 88.6 mm-40 -128.11 77.47 76.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.641 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -47.62 -23.92 4.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.799 2.333 . . . . 1.0 111.979 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.9 -31.49 71.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.548 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 115' ' ' GLN . 33.0 t -147.63 155.52 41.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.534 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 -52.21 -38.5 58.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.548 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 148.25 169.57 15.36 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 mt -89.09 144.2 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 1.0 110.525 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 95.7 p -101.96 134.67 44.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.651 ' C ' ' H ' ' A' ' 125' ' ' VAL . . . -80.23 4.4 17.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.607 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.95 3.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.586 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.651 ' H ' ' C ' ' A' ' 123' ' ' ALA . 15.9 m -133.0 142.67 45.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.586 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.2 139.29 12.23 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.738 2.292 . . . . 1.0 112.149 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 129' ' ' GLU . 7.8 tp 61.02 -117.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.554 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.81 -12.18 69.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' H ' ' HG ' ' A' ' 127' ' ' LEU . 0.4 OUTLIER -151.94 160.5 31.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 1.0 110.641 -179.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.623 ' C ' ' H ' ' A' ' 132' ' ' GLN . 20.2 Cg_endo -59.54 168.75 4.87 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.978 2.452 . . . . 1.0 112.206 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 53.6 mt -64.3 12.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.529 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.623 ' H ' ' C ' ' A' ' 130' ' ' PRO . 42.8 mt-30 -145.31 161.44 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.479 -178.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -132.32 87.08 43.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.577 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -47.54 139.82 17.22 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.925 2.417 . . . . 1.0 112.356 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.483 HG23 HG22 ' A' ' 140' ' ' VAL . 2.1 m -87.37 159.39 3.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.352 179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.563 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.2 OUTLIER -88.68 138.76 29.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.776 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -41.1 -32.53 1.04 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.9 2.4 . . . . 1.0 111.824 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -72.26 -34.44 68.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.616 178.078 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.601 ' CE1' ' NA ' ' A' ' 301' ' ' CYC . 6.8 t60 -87.2 -25.6 23.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.099 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.483 HG22 HG23 ' A' ' 135' ' ' VAL . 70.5 t -57.38 -54.74 26.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.222 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -46.45 -44.65 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.34 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 28.2 mt -73.88 -45.08 53.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.436 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -55.41 -44.32 76.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.558 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 91.1 p -64.22 -16.53 62.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.622 177.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 36.4 mmm -96.44 -1.8 46.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.459 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.87 21.94 73.05 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.656 ' CG2' HH21 ' A' ' 50' ' ' ARG . 98.6 t -103.87 138.64 27.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 1.0 110.67 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -115.35 -52.86 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.202 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 44.2 p -132.83 114.59 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.923 -0.58 . . . . 1.0 109.986 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.543 ' OG ' HD12 ' A' ' 103' ' ' ILE . 70.8 p -131.82 145.72 51.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.049 -178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 152' ' ' LEU . 8.5 mp -101.86 132.25 47.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.059 178.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 4.0 t -109.87 103.48 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 111.037 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 166' ' ' LEU . 91.6 t -108.15 120.67 46.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.108 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -79.24 159.07 26.46 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.949 2.433 . . . . 1.0 112.756 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.1 mt -123.09 111.98 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.124 177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 12.7 ptm -133.45 157.7 44.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.849 0.357 . . . . 1.0 110.679 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.572 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 55.3 t-80 -132.62 123.21 25.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.549 177.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 66.96 -111.06 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.497 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -114.88 -7.12 12.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.514 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 162' ' ' LEU . 25.5 tp10 -102.89 154.05 19.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.643 -176.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.503 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 16.3 tp -105.53 127.44 53.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.447 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.419 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 74.4 m95 -100.72 -40.34 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.633 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.54 ' CA ' ' O ' ' A' ' 54' ' ' TYR . . . -163.89 -176.38 35.72 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -176.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 54' ' ' TYR . 3.9 mp -138.68 146.56 41.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.338 . . . . 1.0 110.654 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.639 ' CD1' HG22 ' A' ' 53' ' ' VAL . 5.3 tp -109.59 154.53 22.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.16 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.9 p -160.95 138.66 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.948 0.404 . . . . 1.0 110.991 -178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 10.5 m -118.44 133.51 55.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.184 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.522 ' O ' ' CG2' ' A' ' 48' ' ' THR . 18.9 m80 -109.35 130.74 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.025 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.41 128.09 47.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.393 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -80.83 39.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -163.13 154.82 15.06 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.582 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 174' ' ' ARG . 53.4 Cg_endo -70.41 -99.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.734 2.29 . . . . 1.0 112.264 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.531 ' O ' ' O ' ' A' ' 173' ' ' PRO . 17.9 mtp-105 56.47 131.11 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.982 0.42 . . . . 1.0 110.349 -179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -77.19 162.6 31.3 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.809 2.339 . . . . 1.0 112.199 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -108.74 155.26 20.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.444 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 88.6 p -112.95 152.4 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . 0.509 ' N ' ' OE1' ' A' ' 178' ' ' GLN . 1.1 mp0 -63.38 -37.25 86.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.495 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -51.85 -58.31 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.338 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -70.13 -25.1 63.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.447 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.39 -47.92 83.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.337 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -63.51 -52.07 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.274 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.1 t -43.22 -49.16 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.067 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 49.0 t -75.89 -50.32 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.114 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -51.29 -40.23 58.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.92 179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.46 -47.54 32.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.994 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 62.1 tp -50.61 -45.39 57.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.82 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.67 98.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.824 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -60.99 -37.95 84.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.741 178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -68.77 -30.31 68.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 42.6 t -75.54 -49.57 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.978 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.409 ' O ' ' CG1' ' A' ' 195' ' ' ILE . 26.5 p -51.66 -27.08 10.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.0 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 45.2 mt -76.67 -34.61 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.13 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.97 96.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.198 -178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.53 ' CG2' HD21 ' A' ' 35' ' ' LEU . 14.8 pt -68.32 -27.82 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.212 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.572 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -73.06 -52.62 13.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.279 -179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.489 ' CD ' ' N ' ' A' ' 198' ' ' ALA . 3.4 pp0? -69.4 -37.18 77.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.256 -178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.489 ' N ' ' CD ' ' A' ' 197' ' ' GLN . . . -66.35 -36.26 82.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.336 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -52.86 -41.58 64.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.413 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.0 mt -49.27 -33.1 12.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.438 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.3 m -52.99 -58.43 7.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.46 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.897 -1.049 . . . . 1.0 110.515 179.587 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.681 ' H3C' HMD3 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_